COL ICSD Collection Code 9993 DATE Recorded Jan 1, 1980; updated Nov 30, 1984 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL A High-Temperature Neutron Diffraction Study of Pure and Scandia- Stabilized Zirconia REF Journal of Solid State Chemistry JSSCB 7 (1973) 448-453 REF Acta Crystallographica (1,1948-23,1967) ACCRA 15 (1962) 1187 AUT Barker W W, Bailey˙F˙P, Garrett˙W CELL a=3.640 b=3.640 c=5.270 à=90.0 á=90.0 ç=90.0 V=69.8 Z=2 SGR P 42/n m c S (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2a 0. 0. 0. O 1 -2.000 4d 0. 1/2 0.188 WYCK d a ITF Zr 1 B=0.8 ITF O 1 B=2.5 REM TEM 1473 REM NDP (neutron diffraction from a powder) RVAL 0.045 COL ICSD Collection Code 23928 DATE Recorded Sep 24, 1986; updated Sep 24, 1986 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL The crystal structure of tetragonal Zr O2 REF Acta Crystallographica (1,1948-23,1967) ACCRA 15 (1962) 1187 AUT Teufer G CELL a=3.640 b=3.640 c=5.270 à=90.0 á=90.0 ç=90.0 V=69.8 Z=2 SGR P 42/n m c S (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2a 0. 0. 0. O 1 -2.000 4d 0. 1/2 0.185 WYCK d a ITF Zr 1 B=1.66 ITF O 1 B=3.11 REM TEM 1523 RVAL 0.067 COL ICSD Collection Code 67004 DATE Recorded Dec 27, 1990 NAME Zirconium oxide - orthorhombic phase cooled to 30K MINR Zirconia FORM Zr O2 = O2 Zr TITL Crystal Structure of Orthorhombic Zirconia in Partially Stabilized Zirconia REF Journal of the American Ceramic Society JACTA 72 (1989) 1757-1760 Issue 72 AUT Kisi E H, Howard˙C˙J, Hill˙R˙J CELL a=5.068 b=5.260 c=5.077 à=90.0 á=90.0 ç=90.0 V=135.3 Z=4 SGR P b c 21 (29) - orthorhombic CLAS mm2 (Hermann-Mauguin) - C2v (Schoenflies) PRS oP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4a 0.267 0.03 0.25 O 1 -2.000 4a 0.068 0.361 0.106 O 2 -2.000 4a 0.537 0.229 0. WYCK a3 ITF Zr 1 B=0.4(1) ITF O 1 B=0.8(1) ITF O 2 B=0.2(1) REM RVP REM NDP (neutron diffraction from a powder) RVAL 0.021 COL ICSD Collection Code 68589 DATE Recorded Jul 10, 1991 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Simultaneous structure and size-strain refinement by the Rietveld method REF Journal of Applied Crystallography JACGA 23 (1990) 246-252 AUT Lutterotti L, Scardi˙P CELL a=3.596 b=3.596 c=5.177 à=90.0 á=90.0 ç=90.0 V=66.9 Z=2 SGR P 42/n m c S (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2a 0. 0. 0. O 1 -2.000 4d 0. 1/2 0.203 WYCK d a ITF Zr 1 B=0.18(2) ITF O 1 B=0.86(9) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.050 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 68781 DATE Recorded Jan 20, 1992 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Neutron diffraction studies of phase transformations between tetragonal and orthorhombic zirconia in magnesia- partiallystabilized zirconia REF Journal of the American Ceramic Society JACTA 73 (1990) 2828-2833 Issue 10 AUT Howard C J, Kisi˙E˙H, Roberts˙R˙B, Hill˙R˙J CELL a=3.592 b=3.592 c=5.184 à=90.0 á=90.0 ç=90.0 V=66.9 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2a 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4546 WYCK d a ITF Zr 1 B=0.41(4) ITF O 1 B=0.36(4) REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.046 COL ICSD Collection Code 72699 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.9/2) FORM Zr0.94 O2 = O2 Zr.94 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.124 b=5.124 c=5.241 à=90.0 á=90.0 ç=90.0 V=137.6 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4494 Zr 1 4.000 2a 3/4 1/4 3/4 0.94 WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.1229 -0.0034 0.0309 0.0000 0.0000 0.0000 Zr 1 0.0251 0.0251 0.0113 0.0000 0.0000 0.0000 REM TEM 1100 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 72700 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.9/2) FORM Zr0.94 O2 = O2 Zr.94 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.131 b=5.131 c=5.249 à=90.0 á=90.0 ç=90.0 V=138.2 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4469 Zr 1 4.000 2a 3/4 1/4 3/4 0.94 WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0644 0.0246 0.0297 0.0000 0.0000 0.0000 Zr 1 0.0227 0.0227 0.0125 0.0000 0.0000 0.0000 REM TEM 1150 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72701 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.9/2) FORM Zr0.94 O2 = O2 Zr.94 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.136 b=5.136 c=5.259 à=90.0 á=90.0 ç=90.0 V=138.7 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4472 Zr 1 4.000 2a 3/4 1/4 3/4 0.94 WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0687 0.0399 0.0217 0.0000 0.0000 0.0000 Zr 1 0.0257 0.0257 0.0157 0.0000 0.0000 0.0000 REM TEM 1190 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72702 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.9/2) FORM Zr0.946 O2 = O2 Zr.946 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.138 b=5.138 c=5.262 à=90.0 á=90.0 ç=90.0 V=138.9 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4476 Zr 1 4.000 2a 3/4 1/4 3/4 0.946(8) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0750 0.0328 0.0208 0.0000 0.0000 0.0000 Zr 1 0.0285 0.0285 0.0163 0.0000 0.0000 0.0000 REM TEM 1220 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72703 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.9/2) FORM Zr0.942 O2 = O2 Zr.942 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.137 b=5.137 c=5.262 à=90.0 á=90.0 ç=90.0 V=138.9 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4475 Zr 1 4.000 2a 3/4 1/4 3/4 0.942(6) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0754 0.0381 0.0207 0.0000 0.0000 0.0000 Zr 1 0.0278 0.0278 0.0167 0.0000 0.0000 0.0000 REM TEM 1270 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72704 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.95/2) FORM Zr0.952 O2 = O2 Zr.952 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.143 b=5.143 c=5.270 à=90.0 á=90.0 ç=90.0 V=139.4 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4471 Zr 1 4.000 2a 3/4 1/4 3/4 0.952(8) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0832 0.0357 0.0224 0.0000 0.0000 0.0000 Zr 1 0.0312 0.0312 0.0188 0.0000 0.0000 0.0000 REM TEM 1380 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72705 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.96/2) FORM Zr0.958 O2 = O2 Zr.958 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.147 b=5.147 c=5.275 à=90.0 á=90.0 ç=90.0 V=139.8 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4469 Zr 1 4.000 2a 3/4 1/4 3/4 0.958(8) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0884 0.0358 0.0238 0.0000 0.0000 0.0000 Zr 1 0.0334 0.0334 0.0199 0.0000 0.0000 0.0000 REM TEM 1450 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72706 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.95/2) FORM Zr0.95 O2 = O2 Zr.95 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.153 b=5.153 c=5.282 à=90.0 á=90.0 ç=90.0 V=140.2 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4468 Zr 1 4.000 2a 3/4 1/4 3/4 0.950(8) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0945 0.0391 0.0249 0.0000 0.0000 0.0000 Zr 1 0.0351 0.0351 0.0205 0.0000 0.0000 0.0000 REM TEM 1550 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72707 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.95/2) FORM Zr0.952 O2 = O2 Zr.952 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.155 b=5.155 c=5.285 à=90.0 á=90.0 ç=90.0 V=140.5 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4466 Zr 1 4.000 2a 3/4 1/4 3/4 0.952(8) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0991 0.0405 0.0258 0.0000 0.0000 0.0000 Zr 1 0.0350 0.0350 0.0208 0.0000 0.0000 0.0000 REM TEM 1600 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72708 DATE Recorded Jan 19, 1994 NAME Zirconium oxide (0.95/2) FORM Zr0.952 O2 = O2 Zr.952 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.173 b=5.173 c=5.305 à=90.0 á=90.0 ç=90.0 V=141.9 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4d 1/4 1/4 0.4459 Zr 1 4.000 2a 3/4 1/4 3/4 0.952(8) WYCK d a ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.1199 0.0452 0.0303 0.0000 0.0000 0.0000 Zr 1 0.0420 0.0420 0.0247 0.0000 0.0000 0.0000 REM TEM 1900 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 70014 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/2) FORM Zr O1.99 = O1.99 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.607 b=3.607 c=5.129 à=90.0 á=90.0 ç=90.0 V=66.7 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 1/2 0.7 O 2 -2.000 4d 1/4 1/4 0.396 0.295 WYCK d2 a ITF Zr 1 B=1.25(5) ITF O 2 B=7.01(3) ˙ TF Atom B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) O 1 0.0460 0.0460 0.0460 0.0000 0.0000 0.0000 REM TEM 295 REM NDP (neutron diffraction from a powder) REM RVP REM F Interstitial-atom model - tetragonal refinement of cubic phase. RVAL 0.062 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 70015 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.9) FORM Zr O1.88 = O1.88 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia, TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.607 b=3.607 c=5.152 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.760 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 1/2 0.68 O 2 -2.000 4d 1/4 1/4 0.41 0.26 WYCK d2 a ITF Zr 1 B=1.85(6) ITF O 2 B=7.01(6) ˙ TF Atom B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) O 1 0.0520 0.0520 0.0520 0.0000 0.0000 0.0000 REM TEM 770 REM NDP (neutron diffraction from a powder) REM RVP REM F Interstitial-atom model - tetragonal refinement of cubic phase. RVAL 0.072 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 72949 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.95) FORM Zr O1.95 = O1.95 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia,TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.607 b=3.607 c=5.176 à=90.0 á=90.0 ç=90.0 V=67.3 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.900 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 0.4589 0.975(10) WYCK d a ITF Zr 1 B=0.37(4) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0200 0.0100 0.0076 0.0000 0.0000 0.0000 REM TEM 295 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.035 COL ICSD Collection Code 72950 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.99) FORM Zr O1.99 = O1.99 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia,TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.614 b=3.614 c=5.191 à=90.0 á=90.0 ç=90.0 V=67.8 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.980 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 0.4578 0.995(10) WYCK d a ITF Zr 1 B=0.72(3) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0360 0.0210 0.0115 0.0000 0.0000 0.0000 REM TEM 570 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.047 COL ICSD Collection Code 72951 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.96) FORM Zr O1.96 = O1.96 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia,TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.623 b=3.623 c=5.206 à=90.0 á=90.0 ç=90.0 V=68.3 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.920 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 0.4566 0.98(1) WYCK d a ITF Zr 1 B=0.99(3) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0430 0.0240 0.0149 0.0000 0.0000 0.0000 REM TEM 770 REM NDP (neutron diffraction from a powder) REM RVP REM AHT (anharmonic temperature factor given) RVAL 0.033 COL ICSD Collection Code 72952 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.97) FORM Zr O1.97 = O1.97 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia,TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.636 b=3.636 c=5.226 à=90.0 á=90.0 ç=90.0 V=69.1 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.940 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 0.4558 0.985(10) WYCK d a ITF Zr 1 B=1.20(4) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0510 0.0270 0.0182 0.0000 0.0000 0.0000 REM TEM 1060 REM NDP (neutron diffraction from a powder) REM RVP REM AHT (anharmonic temperature factor given) RVAL 0.057 COL ICSD Collection Code 72953 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.98) FORM Zr O1.98 = O1.98 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia,TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.641 b=3.641 c=5.234 à=90.0 á=90.0 ç=90.0 V=69.4 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.960 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 0.4549 0.99(1) WYCK d a ITF Zr 1 B=1.42(4) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0640 0.0270 0.0208 0.0000 0.0000 0.0000 REM TEM 1200 REM NDP (neutron diffraction from a powder) REM RVP REM AHT (anharmonic temperature factor given) RVAL 0.047 COL ICSD Collection Code 72954 DATE Recorded Jun 30, 1994 NAME Zirconium oxide (1/1.96) FORM Zr O1.96 = O1.96 Zr FORM Zr0.94 Y0.06 O1.97 TITL Neutron powder investigation of tetragonal and cubic stabilized zirconia,TZP and CSZ, at temperatures up to 1400K REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 403-413 AUT Martin U, Boysen˙H, Frey˙F CELL a=3.650 b=3.650 c=5.248 à=90.0 á=90.0 ç=90.0 V=69.9 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 3.920 2a 3/4 1/4 3/4 O 1 -2.000 4d 1/4 1/4 0.4549 0.98(1) WYCK d a ITF Zr 1 B=1.68(5) ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0710 0.0370 0.0235 0.0000 0.0000 0.0000 REM TEM 1400 REM NDP (neutron diffraction from a powder) REM RVP REM AHT (anharmonic temperature factor given) RVAL 0.055 COL ICSD Collection Code 79914 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Crystal structure and equation of state of cotunnite-type zirconia REF Journal of the American Ceramic Society JACTA 78 (1995) 445-448 AUT Haines J, Leger˙J˙M, Atouf˙A CELL a=5.593 b=6.484 c=3.333 à=90.0 á=90.0 ç=90.0 V=120.9 Z=4 SGR P n a m (62) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4c 0.256 0.11 1/4 O 1 -2.000 4c 0.356 0.422 1/4 O 2 -2.000 4c 0.022 0.331 3/4 WYCK c3 REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.027 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 79915 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Crystal structure and equation of state of cotunnite-type zirconia REF Journal of the American Ceramic Society JACTA 78 (1995) 445-448 AUT Haines J, Leger˙J˙M, Atouf˙A CELL a=5.471 b=6.341 c=3.246 à=90.0 á=90.0 ç=90.0 V=112.6 Z=4 SGR P n a m (62) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4c 0.251 0.109 1/4 O 1 -2.000 4c 0.364 0.422 1/4 O 2 -2.000 4c 0.021 0.328 3/4 WYCK c3 REM PRE 24600 REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.029 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 80042 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.148 b=5.208 c=5.315 à=90.0 á=99.2 ç=90.0 V=140.6 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2756 0.0392 0.2092 O 1 -2.000 4e 0.07 0.331 0.343 O 2 -2.000 4e 0.453 0.76 0.477 WYCK e3 ITF Zr 1 B=0.44(3) ITF O 1 B=0.41(2) ITF O 2 B=0.41(2) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.038 COL ICSD Collection Code 80043 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.148 b=5.207 c=5.315 à=90.0 á=99.2 ç=90.0 V=140.6 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2758 0.0391 0.2094 O 1 -2.000 4e 0.063 0.328 0.343 O 2 -2.000 4e 0.45 0.758 0.474 WYCK e3 ITF Zr 1 B=0.96(3) ITF O 1 B=2.6(3) ITF O 2 B=2.6(3) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.036 COL ICSD Collection Code 80044 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.149 b=5.207 c=5.316 à=90.0 á=99.2 ç=90.0 V=140.7 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2747 0.0394 0.209 O 1 -2.000 4e 0.07 0.332 0.3464 O 2 -2.000 4e 0.451 0.758 0.478 WYCK e3 ITF Zr 1 B=0.59(3) ITF O 1 B=0.32(5) ITF O 2 B=0.35(4) REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.035 COL ICSD Collection Code 80045 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.150 b=5.208 c=5.316 à=90.0 á=99.2 ç=90.0 V=140.7 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2754 0.0391 0.2098 O 1 -2.000 4e 0.065 0.326 0.347 O 2 -2.000 4e 0.461 0.757 0.479 WYCK e3 ITF Zr 1 B=0.61(5) ITF O 1 B=0.31(3) ITF O 2 B=0.31(3) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.046 COL ICSD Collection Code 80046 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.149 b=5.208 c=5.316 à=90.0 á=99.2 ç=90.0 V=140.7 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2748 0.0384 0.2093 O 1 -2.000 4e 0.067 0.326 0.348 O 2 -2.000 4e 0.464 0.76 0.476 WYCK e3 ITF Zr 1 B=1.56(9) ITF O 1 B=2.5(4) ITF O 2 B=2.5(4) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.042 COL ICSD Collection Code 80047 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.150 b=5.208 c=5.316 à=90.0 á=99.2 ç=90.0 V=140.8 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2763 0.0395 0.2084 O 1 -2.000 4e 0.066 0.327 0.338 O 2 -2.000 4e 0.453 0.763 0.479 WYCK e3 ITF Zr 1 B=0.76(5) ITF O 1 B=1.18(21) ITF O 2 B=.0(900) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.058 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 80048 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.148 b=5.206 c=5.321 à=90.0 á=99.2 ç=90.0 V=140.8 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.275 0.0399 0.2096 O 1 -2.000 4e 0.067 0.33 0.344 O 2 -2.000 4e 0.453 0.7538 0.479 WYCK e3 ITF Zr 1 B=1.01(2) ITF O 1 B=0.66(10) ITF O 2 B=0.68(10) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.055 COL ICSD Collection Code 80049 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.149 b=5.203 c=5.313 à=90.0 á=99.2 ç=90.0 V=140.5 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.276 0.0389 0.209 O 1 -2.000 4e 0.069 0.331 0.343 O 2 -2.000 4e 0.448 0.758 0.48 WYCK e3 ITF Zr 1 B=0.45(8) ITF O 1 B=0.32(8) ITF O 2 B=0.21(8) REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.029 COL ICSD Collection Code 80050 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=5.142 b=5.200 c=5.311 à=90.0 á=99.2 ç=90.0 V=140.2 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2766 0.0394 0.2098 O 1 -2.000 4e 0.0694 0.331 0.3462 O 2 -2.000 4e 0.4495 0.7572 0.4774 WYCK e3 ITF Zr 1 B=0.50(2) ITF O 1 B=0.53(2) ITF O 2 B=0.32(2) REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.033 COL ICSD Collection Code 66781 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.184 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4545 WYCK d b ITF Zr 1 B=0.48(2) ITF O 1 B=0.3(2) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.038 COL ICSD Collection Code 66782 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.184 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.451 WYCK d b ITF Zr 1 B=0.93(2) ITF O 1 B=0.18(3) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.036 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 66783 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.184 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4522 WYCK d b ITF Zr 1 B=0.35(2) ITF O 1 B=0.42(7) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.035 COL ICSD Collection Code 66784 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.185 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4514 WYCK d b ITF Zr 1 B=0.52(2) ITF O 1 B=0.20(1) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.046 COL ICSD Collection Code 66785 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.184 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4537 WYCK d b ITF Zr 1 B=0.175(5) ITF O 1 B=0.32(1) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.042 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 66786 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.185 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4509 WYCK d b ITF Zr 1 B=0.59(2) ITF O 1 B=0.45(8) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.058 COL ICSD Collection Code 66787 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.596 b=3.596 c=5.185 à=90.0 á=90.0 ç=90.0 V=67.0 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.452 WYCK d b ITF Zr 1 B=0.95(2) ITF O 1 B=0.32(21) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.055 COL ICSD Collection Code 66788 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.594 b=3.594 c=5.181 à=90.0 á=90.0 ç=90.0 V=66.9 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.4524 WYCK d b ITF Zr 1 B=0.30(2) ITF O 1 B=0.47(2) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.029 COL ICSD Collection Code 66789 DATE Recorded Oct 14, 1996 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Powder diffraction investigations of plasma sprayed zirconia REF Journal of Materials Science JMTSA 30 (1995) 1621-1625 AUT Bondars B, Heidemane˙G, Grabis˙J, Laschke˙K, Boysen˙H, Schneider˙J, Frey˙F CELL a=3.592 b=3.592 c=5.179 à=90.0 á=90.0 ç=90.0 V=66.8 Z=2 SGR P 42/n m c Z (137) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tP6 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2b 3/4 1/4 1/4 O 1 -2.000 4d 1/4 1/4 0.454 WYCK d b ITF Zr 1 B=0.55(2) ITF O 1 B=0.29(13) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.033 COL ICSD Collection Code 15983 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME Zirconium oxide MINR Baddeleyite FORM Zr O2 = O2 Zr TITL Zur Struktur des Baddeleyits Zr O2 REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 94 (1936) 414-416 AUT Naray-Szabo S CELL a=5.210 b=5.260 c=5.370 à=90.0 á=80.5 ç=90.0 V=145.2 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 2a 0. 0. 0. Zr 2 4.000 2d 1/2 1/2 0. O 1 -2.000 4e 0.2 0.22 0.21 O 2 -2.000 4e 0.288 3/4 0.21 WYCK e2 d a REM M PDF 37-1484 REM M Structure incorrect, cf. 26488 TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) TEST Coordinates are those given in the paper but are obviously wrong. (Code 74) COL ICSD Collection Code 18190 DATE Recorded Sep 24, 1986; updated Nov 10, 1997 NAME Zirconium oxide MINR Baddeleyite - synthetic FORM Zr O2 = O2 Zr TITL The crystal structure of Baddeleyite (monoclinic Zr O2) and its relation to the polymorphism of Zr O2 REF Acta Crystallographica (1,1948-23,1967) ACCRA 18 (1965) 983-991 AUT Smith D K, Newkirk˙H˙W CELL a=5.145 b=5.207 c=5.311 à=90.0 á=99.2 ç=90.0 V=140.4 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2758 0.0411 0.2082 O 1 -2.000 4e 0.0703 0.3359 0.3406 O 2 -2.000 4e 0.4423 0.7549 0.4789 WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Zr 1 0.0029 -0.0008 0.0013 -0.0003 0.0016 0.0003 O 1 0.0098 0.0024 0.0038 0.0028 -0.0019 -0.0045 O 2 0.0102 0.0025 0.0017 0.0013 0.0020 0.0007 REM M PDF 37-1484 RVAL 0.086 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 26488 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME Zirconium dioxide MINR Baddeleyit FORM Zr O2 = O2 Zr TITL The Crystal Structure of Baddeleyite (Monoclinic Zr O2 ) REF Acta Crystallographica (1,1948-23,1967) ACCRA 12 (1959) 507-511 AUT McMullough J D, Trueblood˙K˙N CELL a=5.169 b=5.232 c=5.341 à=90.0 á=99.3 ç=90.0 V=142.6 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2758 0.0404 0.2089 O 1 -2.000 4e 0.069 0.342 0.345 O 2 -2.000 4e 0.451 0.758 0.479 WYCK e3 ITF Zr 1 B=1. ITF O 1 B=2. ITF O 2 B=1.4 REM B Mean value of R REM M 0kl, h0l, and hk0 data only REM M PDF 34-178 RVAL 0.125 COL ICSD Collection Code 60900 DATE Recorded Feb 22, 1988; updated Nov 10, 1997 NAME Zirconium dioxide MINR Baddeleyite FORM Zr O2 = O2 Zr TITL Monoclinic crystal structures of ZrO2 and HfO2 refined from X-ray powder diffraction data REF Journal of the American Ceramic Society JACTA 68 (1985) 285-286 AUT Hann R E, Suitch˙P˙R, Pentecost˙J˙L CELL a=5.151 b=5.203 c=5.316 à=90.0 á=99.2 ç=90.0 V=140.6 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2742 0.0389 0.2095 O 1 -2.000 4e 0.063 0.3289 0.3476 O 2 -2.000 4e 0.4491 0.7548 0.4827 WYCK e3 ITF Zr 1 B=7.(5) ITF O 1 B=7.(5) ITF O 2 B=7.(5) REM M PDF 37-1487 REM XDP (X-ray diffraction from a powder) TEST No R value given in the paper. (Code 51) COL ICSD Collection Code 60901 DATE Recorded Feb 22, 1988; updated Nov 10, 1997 NAME Zirconium dioxide MINR Baddeleyite FORM Zr O2 = O2 Zr TITL Monoclinic crystal structures of ZrO2 and HfO2 refined from X-ray powder diffraction data REF Journal of the American Ceramic Society JACTA 68 (1985) 285-286 AUT Hann R E, Suitch˙P˙R, Pentecost˙J˙L CELL a=5.150 b=5.203 c=5.315 à=90.0 á=99.2 ç=90.0 V=140.6 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2742 0.0389 0.2095 O 1 -2.000 4e 0.0628 0.3279 0.3471 O 2 -2.000 4e 0.4485 0.7554 0.4819 WYCK e3 ITF Zr 1 B=0.15(5) ITF O 1 B=1.01(39) ITF O 2 B=1.7(6) REM M PDF 37-1484 REM XDP (X-ray diffraction from a powder) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52) COL ICSD Collection Code 62993 DATE Recorded Jun 19, 1989; updated Nov 10, 1997 NAME Zirconium dioxide MINR Baddeleyite FORM Zr O2 = O2 Zr TITL Structures of the Zr O2 polymorphs at room temperature by high resolution neutron powder diffraction. REF Acta Crystallographica B (39,1983-) ASBSD 44 (1988) 116-120 AUT Howard C J, Hill˙R˙J, Reichert˙B˙E CELL a=5.150 b=5.212 c=5.317 à=90.0 á=99.2 ç=90.0 V=140.9 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2754 0.0395 0.2083 O 1 -2.000 4e 0.07 0.3317 0.3447 O 2 -2.000 4e 0.4496 0.7569 0.4792 WYCK e3 ITF Zr 1 B=0.33(2) ITF O 1 B=0.55(2) ITF O 2 B=0.46(2) REM NDP (neutron diffraction from a powder) REM F Temperature factors for all atoms as B eq. REM F Rwp is .0466, Rb is .0195 REM M PDF 37-1484 TEST No R value given in the paper. (Code 51) COL ICSD Collection Code 68782 DATE Recorded Jan 20, 1992; updated Nov 10, 1997 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Neutron diffraction studies of phase transformations between tetragonal and orthorhombic zirconia in magnesia- partiallystabilized zirconia REF Journal of the American Ceramic Society JACTA 73 (1990) 2828-2833 Issue 10 AUT Howard C J, Kisi˙E˙H, Roberts˙R˙B, Hill˙R˙J CELL a=5.144 b=5.133 c=5.347 à=90.0 á=98.9 ç=90.0 V=139.5 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2734 0.0395 0.2083 O 1 -2.000 4e 0.07 0.3317 0.3347 O 2 -2.000 4e 0.4496 0.7569 0.4792 WYCK e3 ITF Zr 1 B=0.33(2) ITF O 1 B=0.55(2) ITF O 2 B=0.46(2) REM NDP (neutron diffraction from a powder) REM RVP REM M PDF 33-1484 RVAL 0.046 COL ICSD Collection Code 72693 DATE Recorded Jan 19, 1994; updated Nov 10, 1997 NAME Zirconium oxide (0.9/2) MINR Baddeleyite FORM Zr0.944 O2 = O2 Zr.944 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.149 b=5.202 c=5.320 à=90.0 á=99.2 ç=90.0 V=140.7 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4e 0.0684 0.3311 0.3458 O 2 -2.000 4e 0.449 0.755 0.4776 Zr 1 4.000 4e 0.2763 0.0388 0.2081 0.944(6) WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0071 0.0097 0.0093 0.0019 0.0008 -0.0032 O 2 0.0092 0.0071 0.0077 -0.0004 0.0003 0.0001 Zr 1 0.0063 0.0059 0.0041 -0.0029 0.0004 0.0017 REM TEM 300 REM NDP (neutron diffraction from a powder) REM RVP REM M PDF 37-1484 RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72694 DATE Recorded Jan 19, 1994; updated Nov 10, 1997 NAME Zirconium oxide (0.9/2) MINR Baddeleyite FORM Zr0.932 O2 = O2 Zr.932 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.183 b=5.212 c=5.373 à=90.0 á=98.8 ç=90.0 V=143.4 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4e 0.0667 0.3226 0.3549 O 2 -2.000 4e 0.4501 0.7546 0.4735 Zr 1 4.000 4e 0.2741 0.0362 0.2095 0.932(6) WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0210 0.0292 0.0239 0.0090 0.0002 -0.0103 O 2 0.0183 0.0154 0.0202 0.0000 0.0030 -0.0004 Zr 1 0.0103 0.0144 0.0088 -0.0015 -0.0001 0.0023 REM TEM 1100 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72695 DATE Recorded Jan 19, 1994; updated Nov 10, 1997 NAME Zirconium oxide (0.9/2) MINR Baddeleyite FORM Zr0.931 O2 = O2 Zr.931 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.185 b=5.212 c=5.377 à=90.0 á=98.8 ç=90.0 V=143.6 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4e 0.0675 0.3215 0.3563 O 2 -2.000 4e 0.4502 0.7542 0.4734 Zr 1 4.000 4e 0.2734 0.0356 0.2095 0.931(6) WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0217 0.0283 0.0235 0.0100 -0.0005 -0.0095 O 2 0.0180 0.0164 0.0203 0.0006 0.0020 0.0001 Zr 1 0.0111 0.0143 0.0079 -0.0013 0.0013 0.0021 REM TEM 1150 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72696 DATE Recorded Jan 19, 1994; updated Nov 10, 1997 NAME Zirconium oxide (0.9/2) MINR Baddeleyite FORM Zr0.936 O2 = O2 Zr.936 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.187 b=5.213 c=5.380 à=90.0 á=98.8 ç=90.0 V=143.8 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4e 0.0663 0.3195 0.3576 O 2 -2.000 4e 0.4509 0.7535 0.473 Zr 1 4.000 4e 0.2734 0.0362 0.2087 0.936(8) WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0186 0.0288 0.0218 0.0113 -0.0017 -0.0089 O 2 0.0180 0.0162 0.0188 0.0024 0.0034 0.0021 Zr 1 0.0105 0.0119 0.0087 -0.0004 0.0015 0.0014 REM TEM 1190 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72697 DATE Recorded Jan 19, 1994; updated Nov 10, 1997 NAME Zirconium oxide (0.9/2) FORM Zr0.93 O2 = O2 Zr.93 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.187 b=5.213 c=5.381 à=90.0 á=98.8 ç=90.0 V=143.8 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4e 0.0652 0.3192 0.3552 O 2 -2.000 4e 0.4538 0.7527 0.4745 Zr 1 4.000 4e 0.2743 0.037 0.2096 0.93 WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0208 0.0286 0.0292 0.0147 -0.0010 -0.0032 O 2 0.0167 0.0185 0.0290 0.0027 0.0073 0.0094 Zr 1 0.0090 0.0128 0.0082 0.0004 0.0024 0.0047 REM TEM 1220 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 72698 DATE Recorded Jan 19, 1994; updated Nov 10, 1997 NAME Zirconium oxide (0.9/2) MINR Baddeleyite FORM Zr0.93 O2 = O2 Zr.93 TITL Neutron powder investigation of the tetragonal to monoclinic phase transformation in undoped zirconia REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 881-886 AUT Boysen H, Frey˙F, Vogt˙T CELL a=5.187 b=5.215 c=5.384 à=90.0 á=98.7 ç=90.0 V=144.0 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- O 1 -2.000 4e 0.0666 0.3168 0.358 O 2 -2.000 4e 0.4567 0.7539 0.4738 Zr 1 4.000 4e 0.2743 0.0364 0.2069 0.93 WYCK e3 ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.0211 0.0384 0.0253 0.0162 0.0015 -0.0002 O 2 0.0192 0.0161 0.0370 0.0024 0.0130 0.0107 Zr 1 0.0134 0.0150 0.0118 0.0031 0.0065 0.0063 REM TEM 1270 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.040 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 82543 DATE Recorded Nov 10, 1997 NAME Zirconium oxide MINR Baddeleyite - standard from the Commission on Powder Diffraction of the FORM Zr O2 = O2 Zr TITL Rietveld refinement using synchrotron X-ray powder diffraction data collected in transmission geometry using an imaging-plate detector: application to standard m - Zr O2 REF Journal of Applied Crystallography JACGA 29 (1996) 707-713 AUT Gualtieri A, Norby˙P, Hanson˙J, Hriljac˙J CELL a=5.144 b=5.210 c=5.311 à=90.0 á=99.2 ç=90.0 V=140.5 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2758 0.04074 0.20798 O 1 -2.000 4e 0.0812 0.335 0.3442 O 2 -2.000 4e 0.4515 0.7537 0.4785 WYCK e3 ITF Zr 1 U=0.0087(2) ITF O 1 U=0.0075(9) ITF O 2 U=0.0068(9) REM SNP (synchroton radiation, powder diffraction) REM RVP RVAL 0.064 COL ICSD Collection Code 82544 DATE Recorded Nov 10, 1997 NAME Zirconium oxide MINR Baddeleyite - standard from the Commission on Powder Diffraction of the FORM Zr O2 = O2 Zr TITL Rietveld refinement using synchrotron X-ray powder diffraction data collected in transmission geometry using an imaging-plate detector:application to standard m - Zr O2 REF Journal of Applied Crystallography JACGA 29 (1996) 707-713 AUT Gualtieri A, Norby˙P, Hanson˙J, Hriljac˙J CELL a=5.146 b=5.212 c=5.313 à=90.0 á=99.2 ç=90.0 V=140.7 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.27556 0.04036 0.20853 O 1 -2.000 4e 0.0744 0.3345 0.3439 O 2 -2.000 4e 0.4505 0.7564 0.4687 WYCK e3 ITF Zr 1 U=0.0089(2) ITF O 1 U=0.0074(9) ITF O 2 U=0.0067(8) REM SNP (synchroton radiation, powder diffraction) REM RVP RVAL 0.047 COL ICSD Collection Code 82545 DATE Recorded Nov 10, 1997 NAME Zirconium oxide MINR Baddeleyite - standard from the Commission on Powder Diffraction of the FORM Zr O2 = O2 Zr TITL Rietveld refinement using synchrotron X-ray powder diffraction data collected in transmission geometry using an imaging-plate detector:application to standard m - Zr O2 REF Journal of Applied Crystallography JACGA 29 (1996) 707-713 AUT Gualtieri A, Norby˙P, Hanson˙J, Hriljac˙J CELL a=5.145 b=5.210 c=5.312 à=90.0 á=99.2 ç=90.0 V=140.5 Z=4 SGR P 1 21/c 1 (14) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4e 0.2751 0.0404 0.2081 O 1 -2.000 4e 0.077 0.3351 0.3437 O 2 -2.000 4e 0.452 0.7546 0.475 WYCK e3 ITF Zr 1 U=0.0146(1) ITF O 1 U=0.011(2) ITF O 2 U=0.014(1) REM SNP (synchroton radiation, powder diffraction) REM RVP RVAL 0.089 COL ICSD Collection Code 83862 DATE Recorded Jan 19, 1999 NAME Zirconium oxide FORM Zr O2 = O2 Zr TITL Characterization of the cotunnite-type phases of zirconia and hafnia by neutron diffraction and Raman spectroscopy REF Journal of the American Ceramic Society JACTA 80 (1997) 1910-1914 AUT Haines J, Leger˙J˙M, Hull˙S, Petitet˙J˙P, Pereira˙A, Perottoni˙C˙A, da Jornada˙J˙A˙H CELL a=5.587 b=6.485 c=3.330 à=90.0 á=90.0 ç=90.0 V=120.6 Z=4 SGR P n a m (62) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4c 0.2459 0.1108 1/4 O 1 -2.000 4c 0.3599 0.4248 1/4 O 2 -2.000 4c 0.025 0.3388 3/4 WYCK c3 ITF Zr 1 B=0.10(1) ITF O 1 B=0.20(1) ITF O 2 B=0.34(2) REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.029 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52)