COL ICSD Collection Code 23660 DATE Recorded Jan 1, 1980 NAME Aluminium oxide - kappa $* FORM (Al2 O3)5.333 = Al10.666 O15.999 TITL The Crystal Structure of kappa'-Al2 O3, the New Intermediate Phase REF Bulletin of the Chemical Society of Japan BCSJA 44 (1971) 1567-1570 AUT Okumiya M, Yamaguchi˙G CELL a=5.544(1) b=5.544(1) c=9.024(1) à=90.0 á=90.0 ç=120.0 V=240.2 Z=1 SGR P 63 m c (186) - hexagonal CLAS 6mm (Hermann-Mauguin) - C6v (Schoenflies) PRS hP26 ANX A5X8 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 2b 1/3 2/3 0.056 0.51(2) Al 2 3.000 6c 5/6 1/6 0.061 0.08(1) Al 3 3.000 2b 2/3 1/3 0.148 0.98(5) Al 4 3.000 6c 0.156 0.844 0.118 0.34(1) Al 5 3.000 6c 0.169 0.831 0.363 0.67(3) Al 6 3.000 6c 0.884 0.116 0.448 0.12(2) O 1 -2.000 2a 0. 0. 0. O 2 -2.000 6c 1/2 1/2 0.006 O 3 -2.000 6c 0.832 0.168 0.256 O 4 -2.000 2b 1/3 2/3 0.254 WYCK c6 b3 a ITF Al 1 B=0.72(2) ITF Al 2 B=0.72(1) ITF Al 3 B=0.72(5) ITF Al 4 B=0.72(1) ITF Al 5 B=0.72(3) ITF Al 6 B=0.72(2) ITF O 1 B=0.72(2) ITF O 2 B=0.72(2) ITF O 3 B=0.72(2) ITF O 4 B=0.72(2) REM XDP (X-ray diffraction from a powder) RVAL 0.130 TEST Difference between the formula calculated from the PARM record and the FORM record tolerable. (Code 21) TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 28260 DATE Recorded Jan 1, 1980; updated May 22, 1985 NAME Aluminium oxide (10.7/16) FORM (Al2 O3)5.3333 = Al10.6666 O15.9999 TITL The Preparation of eta Alumina and its Structure REF Yogyo Kyokai Shi (= Journal of the Ceramic Assoc. of Japan) YGKSA 84 (1976) 610-613 AUT Shirasuka K, Yanagida˙H, Yamaguchi˙G CELL a=7.906 b=7.906 c=7.906 à=90.0 á=90.0 ç=90.0 V=494.2 Z=1 SGR F d -3 m S (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF27 ANX A11X16 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 8a 1/4 1/4 1/4 0.252 Al 2 3.000 48f 1/4 0. 0. 0.04 Al 3 3.000 16d 5/8 5/8 5/8 0.284 Al 4 3.000 16c 1/8 1/8 1/8 0.136 O 1 -2.000 32e 0.37 0.37 0.37 0.5 WYCK f e d c a ITF Al 1 B=3. ITF Al 2 B=3. ITF Al 3 B=3. ITF Al 4 B=3. ITF O 1 B=3. REM B Site occupation factors given by author are multiplied by 4, since density less than 1 . RVAL 0.065 COL ICSD Collection Code 28919 DATE Recorded Jan 1, 1980 NAME Aluminium(I) oxide FORM Al2 O = Al2 O TITL Formation, Stability and Crystal Structure of the Solid Aluminium Suboxides. Al2 O and Al O REF Journal of the American Chemical Society JACSA 76 (1954) 2560-2561 AUT Hoch M, Johnston˙H˙L CELL a=4.980 b=4.980 c=4.980 à=90.0 á=90.0 ç=90.0 V=123.5 Z=4 SGR F m -3 m (225) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF12 ANX NO2 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 0.000 8c 1/4 1/4 1/4 O 1 0.000 4a 0. 0. 0. WYCK c a REM TEM 1383 TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 28920 DATE Recorded Jan 1, 1980 NAME Aluminium(II) oxide FORM Al O = Al O TITL Formation, Stability and Crystal Structure of the Solid Aluminium Suboxides. Al2 O and Al O REF Journal of the American Chemical Society JACSA 76 (1954) 2560-2561 AUT Hoch M, Johnston˙H˙L CELL a=5.670 b=5.670 c=5.670 à=90.0 á=90.0 ç=90.0 V=182.3 Z=4 SGR F m -3 m (225) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF8 ANX NO PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 0.000 4a 0. 0. 0. O 1 0.000 4b 1/2 1/2 1/2 WYCK b a TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 30267 DATE Recorded Jan 1, 1980 NAME Aluminium oxide - gamma FORM (Al2 O3)1.333 = Al2.666 O3.999 TITL The Structure of the electrolytical Oxide Layer on Aluminium REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 91 (1935) 317-320 AUT Verwey E J W CELL a=3.950 b=3.950 c=3.950 à=90.0 á=90.0 ç=90.0 V=61.6 Z=1 SGR F m -3 m (225) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF7 ANX A3X4 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 4a 0. 0. 0. Al 1 3.000 4b 1/2 1/2 1/2 0.4665 Al 2 3.000 8c 1/4 1/4 1/4 0.0999 WYCK c b a TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 39014 DATE Recorded Apr 14, 1986 NAME Aluminium oxide - eta FORM (Al2 O3)1.333 = Al2.666 O3.999 TITL The preparation of eta alumina and its structure REF Yogyo Kyokai Shi (= Journal of the Ceramic Assoc. of Japan) YGKSA 84 (1976) 610-613 AUT Shirasuka K, Yanagida˙H, Yamaguchi˙G CELL a=7.906 b=7.906 c=7.906 à=90.0 á=90.0 ç=90.0 V=494.2 Z=8 SGR F d -3 m S (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF53 ANX A21X32 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 32e 0.37 0.37 0.37 Al 1 3.000 8a 1/4 1/4 1/4 0.503 Al 2 3.000 48f 1/4 0. 0. 0.083 Al 3 3.000 16d 5/8 5/8 5/8 0.564 Al 4 3.000 16c 1/8 1/8 1/8 0.27 WYCK f e d c a ITF O 1 B=3. ITF Al 1 B=3. ITF Al 2 B=3. ITF Al 3 B=3. ITF Al 4 B=3. REM XDP (X-ray diffraction from a powder) RVAL 0.060 COL ICSD Collection Code 68770 DATE Recorded Jan 20, 1992 NAME Aluminium oxide (21.3/32) - eta FORM Al21.333 O32 = Al21.333 O32 TITL Structural models of eta- and gamma-aluminas by X-ray rietveld refinement REF Acta Crystallographica A (39,1983-) ACACE 46 (1990) C61 AUT Deyu L, O'Connor˙B˙H, Roach˙G˙I˙D, Cornell˙J˙B CELL a=7.906(0) b=7.906(0) c=7.906(0) à=90.0 á=90.0 ç=90.0 V=494.1 Z=1 SGR F d -3 m S (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF53 ANX A21X32 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 32e 0.37 0.37 0.37 Al 1 3.000 8a 0. 0. 0. Al 2 3.000 16d 5/8 5/8 5/8 0.8333 WYCK e d a REM XDP (X-ray diffraction from a powder) REM RVP TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 68771 DATE Recorded Jan 20, 1992 NAME Aluminium oxide (10.7/16) - gamma FORM Al10.666 O16 = Al10.666 O16 TITL Structural models of eta- and gamma-aluminas by X-ray rietveld refinement REF Acta Crystallographica A (39,1983-) ACACE 46 (1990) C61 AUT Deyu L, O'Connor˙B˙H, Roach˙G˙I˙D, Cornell˙J˙B CELL a=5.600(2) b=5.600(2) c=7.854(6) à=90.0 á=90.0 ç=90.0 V=246.3 Z=1 SGR I 41/a m d S (141) - tetragonal CLAS 4/mmm (Hermann-Mauguin) - D4h (Schoenflies) PRS tI27 ANX A11X16 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 16h 0. 0.74 0.37 Al 1 3.000 8d 0. 1/4 5/8 0.833 Al 2 3.000 4a 0. 0. 0. WYCK h d a REM XDP (X-ray diffraction from a powder) REM RVP TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 69213 DATE Recorded Aug 20, 1992 NAME Aluminium oxide (2.7/4) - sigma FORM Al2.667 O4 = Al2.667 O4 TITL X-ray characterization and structure refinement of a new cubic alumina phase (sigma-Al2O3) with spinel-type structure REF Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) NJMMA 1990 (1990) 217-226 Issue 5 AUT Guse W, Saalfeld˙H CELL a=7.948(2) b=7.948(2) c=7.948(2) à=90.0 á=90.0 ç=90.0 V=502.1 D=3.55 Z=8 SGR F d -3 m S (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF53 ANX A21X32 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 8a 0. 0. 0. Al 2 3.000 16d 5/8 5/8 5/8 0.833 O 1 -2.000 32e 0.381 0.381 0.381 WYCK e d a RVAL 0.034 TEST Calculated density unusual but tolerable. (Code 23) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 66558 DATE Recorded Jan 19, 1994 NAME Aluminium oxide (2.1/3.2) - eta FORM Al2.144 O3.2 = Al2.144 O3.2 TITL Structures and transformation mechanisms of the eta, gamma and theta transition aluminas REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 617-630 AUT Zhou R-S, Snyder˙R˙L CELL a=7.914(2) b=7.914(2) c=7.914(2) à=90.0 á=90.0 ç=90.0 V=495.7 Z=10 SGR F d -3 m Z (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF53 ANX A21X32 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 32e 0.2549(5) 0.2549(5) 0.2549(5) Al 1 3.000 16d 1/2 1/2 1/2 0.68(1) Al 2 3.000 48f 0.3511(54) 1/8 1/8 0.16(1) Al 3 3.000 32e 0.0699(55) 0.0699(55) 0.0699(55) 0.09(1) WYCK f e2 d ITF O 1 B=1. ITF Al 1 B=0.5 ITF Al 2 B=0.5 ITF Al 3 B=0.5 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.062 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 66559 DATE Recorded Jan 19, 1994 NAME Aluminium oxide (2.1/3.2) - gamma FORM Al2.144 O3.2 = Al2.144 O3.2 TITL Structures and transformation mechanisms of the eta, gamma and theta transition aluminas REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 617-630 AUT Zhou R-S, Snyder˙R˙L CELL a=7.911(2) b=7.911(2) c=7.911(2) à=90.0 á=90.0 ç=90.0 V=495.1 Z=10 SGR F d -3 m Z (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF53 ANX A21X32 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 32e 0.2547(5) 0.2547(5) 0.2547(5) Al 1 3.000 16d 1/2 1/2 1/2 0.58(1) Al 2 3.000 8a 1/8 1/8 1/8 0.84(2) Al 3 3.000 32e 0.0272(24) 0.0272(24) 0.0272(24) 0.17(2) WYCK e2 d a ITF O 1 B=1. ITF Al 1 B=0.5 ITF Al 2 B=0.5 ITF Al 3 B=0.5 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.076 TEST Deviation of the charge sum from zero tolerable. (Code 22) COL ICSD Collection Code 66560 DATE Recorded Jan 19, 1994 NAME Aluminium oxide (2.4/3.6) - theta FORM Al2.427 O3.64 = Al2.427 O3.64 TITL Structures and transformation mechanisms of the eta, gamma and theta transition aluminas REF Acta Crystallographica B (39,1983-) ASBSD 47 (1991) 617-630 AUT Zhou R-S, Snyder˙R˙L CELL a=11.854(5) b=2.904(1) c=5.622(2) à=90.0 á=103.8(1) ç=90.0 V=187.9 Z=3 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC18 ANX A7X11 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 4i 0.8272(12) 0. 0.4273(44) O 2 -2.000 4i 0.495(1) 0. 0.2526(19) 0.93(4) O 3 -2.000 4i 0.1611(13) 0. 0.0984(45) 0.80(2) Al 1 3.000 4i 0.6595(18) 0. 0.3165(48) 0.90(2) Al 2 3.000 4i 0.9166(15) 0. 0.2073(53) 0.92(2) WYCK i5 ITF O 1 B=1. ITF O 2 B=1. ITF O 3 B=1. ITF Al 1 B=0.5 ITF Al 2 B=0.5 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.093 COL ICSD Collection Code 75479 DATE Recorded Apr 22, 1996 NAME Aluminium oxide FORM Al2 O3 = Al2 O3 TITL Neutron diffraction measurements of the residual stresses in Al2 O3 - Zr O2 (Ce O2) ceramic composites REF Journal of the American Ceramic Society JACTA 77 (1994) 1569-1575 Issue 6 AUT Wang X - L, Hubbard˙C˙R, Alexander˙K˙B, Becher˙P˙F CELL a=4.755(0) b=4.755(0) c=12.991(1) à=90.0 á=90.0 ç=120.0 V=254.4 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3520(3) O 1 -2.000 18e 0.3063(4) 0. 1/4 WYCK e c ITF Al 1 B=0.17(7) ITF O 1 B=0.17(5) REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.070 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 75559 DATE Recorded Apr 22, 1996 NAME Aluminium oxide - alpha FORM Al2 O3 = Al2 O3 TITL Residual electron density study of alpha-aluminium oxide through refinement of experimental atomic scattering factors REF Materials Research Bulletin MRBUA 29 (1994) 127-133 Issue 2 AUT Sawada H CELL a=4.759(0) b=4.759(0) c=12.992(0) à=90.0 á=90.0 ç=120.0 V=254.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35217(2) O 1 -2.000 18e 0.3063(1) 0. 1/4 WYCK e c ITF Al 1 B=0.246(4) ITF O 1 B=0.24(1) REM TEM 297 REM AHT (anharmonic temperature factor given) RVAL 0.008 COL ICSD Collection Code 75560 DATE Recorded Apr 22, 1996 NAME Aluminium oxide - alpha FORM Al2 O3 = Al2 O3 TITL Residual electron density study of alpha-aluminium oxide through refinement of experimental atomic scattering factors REF Materials Research Bulletin MRBUA 29 (1994) 127-133 Issue 2 AUT Sawada H CELL a=4.759(0) b=4.759(0) c=12.992(0) à=90.0 á=90.0 ç=120.0 V=254.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35217(2) O 1 -2.000 18e 0.30618(8) 0. 1/4 WYCK e c ITF Al 1 B=0.249(3) ITF O 1 B=0.22(1) REM TEM 297 REM K Atomic scattering refinement RVAL 0.007 COL ICSD Collection Code 39104 DATE Recorded Apr 14, 1986; updated Oct 15, 1996 NAME Aluminium oxide - eta FORM Al2.66 O4 = Al2.66 O4 TITL The preparation of eta alumina and its structure REF Yogyo Kyokai Shi (= Journal of the Ceramic Assoc. of Japan) YGKSA 84 (1976) 610-613 AUT SHIRASUKA K, Yanagida˙H, Yamaguchi˙G CELL a=7.906 b=7.906 c=7.906 à=90.0 á=90.0 ç=90.0 V=494.2 D=3.66 Z=8 SGR F d -3 m S (227) - cubic CLAS m-3m (Hermann-Mauguin) - Oh (Schoenflies) PRS cF53 ANX A21X32 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 32e 0.37 0.37 0.37 Al 1 3.000 8a 1/4 1/4 1/4 0.503 Al 2 3.000 48f 1/4 0. 0. 0.083 Al 3 3.000 16d 5/8 5/8 5/8 0.564 Al 4 3.000 16c 1/8 1/8 1/8 0.27 WYCK f e d c a ITF O 1 B=3. ITF Al 1 B=3. ITF Al 2 B=3. ITF Al 3 B=3. ITF Al 4 B=3. REM XDP (X-ray diffraction from a powder) REM COA (values from published paper corrected through coorespondence with the author) RVAL 0.060 COL ICSD Collection Code 9770 DATE Recorded Sep 4, 1984; updated Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.761(1) b=4.761(1) c=12.995(2) à=90.0 á=90.0 ç=120.0 V=255.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35216(8) O 1 -2.000 18e 0.3061(5) 0. 1/4 WYCK e c ITF Al 1 B=0.31(4) ITF O 1 B=0.33(5) REM PRE .001 kbar REM M PDF 10-173 RVAL 0.030 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 9771 DATE Recorded Sep 4, 1984; updated Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.754(1) b=4.754(1) c=12.972(1) à=90.0 á=90.0 ç=120.0 V=253.9 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3520(1) O 1 -2.000 18e 0.3060(6) 0. 1/4 WYCK e c ITF Al 1 B=0.26(4) ITF O 1 B=0.48(6) REM PRE 11 kbar RVAL 0.031 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 9772 DATE Recorded Sep 4, 1984; updated Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.747(0) b=4.747(0) c=12.954(1) à=90.0 á=90.0 ç=120.0 V=252.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35201(8) O 1 -2.000 18e 0.3057(5) 0. 1/4 WYCK e c ITF Al 1 B=0.31(4) ITF O 1 B=0.58(5) REM PRE 21 kbar RVAL 0.029 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 9773 DATE Recorded Sep 4, 1984; updated Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.744(1) b=4.744(1) c=12.943(1) à=90.0 á=90.0 ç=120.0 V=252.2 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3519(1) O 1 -2.000 18e 0.3071(7) 0. 1/4 WYCK e c ITF Al 1 B=0.20(4) ITF O 1 B=0.44(6) REM PRE 28 kbar RVAL 0.035 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 9774 DATE Recorded Sep 4, 1984; updated Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.741(1) b=4.741(1) c=12.933(2) à=90.0 á=90.0 ç=120.0 V=251.7 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3520(1) O 1 -2.000 18e 0.3074(7) 0. 1/4 WYCK e c ITF Al 1 B=0.26(4) ITF O 1 B=0.76(8) REM PRE 35 kbar RVAL 0.035 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 9775 DATE Recorded Sep 4, 1984; updated Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.735(1) b=4.735(1) c=12.918(1) à=90.0 á=90.0 ç=120.0 V=250.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3522(1) O 1 -2.000 18e 0.3065(8) 0. 1/4 WYCK e c ITF Al 1 B=0.28(4) ITF O 1 B=0.63(9) REM PRE 46 kbar RVAL 0.029 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 10425 DATE Recorded Dec 31, 1980; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL A structural investigation of alpha-Al2 O3 at 2170K REF Acta Crystallographica B (24,1968-38,1982) ACBCA 36 (1980) 228-230 AUT Ishizawa N, Miyata˙T, Minato˙I, Marumo˙F, Iwai˙S˙I CELL a=4.754(1) b=4.754(1) c=12.990(20) à=90.0 á=90.0 ç=120.0 V=254.2 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35228(5) O 1 -2.000 18e 0.3064(3) 0. 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al 1 0.0051 0.0051 0.0019 0.0026 0.0000 0.0000 (2) (2) (2) (1) O 1 0.0051 0.0051 0.0025 0.0026 0.0003 0.0007 (3) (4) (3) (2) (1) (2) REM TEM 300 REM M PDF 43-1484 RVAL 0.027 COL ICSD Collection Code 10426 DATE Recorded Dec 31, 1980; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL A structural investigation of alpha-Al2 O3 at 2170K REF Acta Crystallographica B (24,1968-38,1982) ACBCA 36 (1980) 228-230 AUT Ishizawa N, Miyata˙T, Minato˙I, Marumo˙F, Iwai˙S˙I CELL a=4.844(2) b=4.844(2) c=13.270(20) à=90.0 á=90.0 ç=120.0 V=269.7 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3533(2) O 1 -2.000 18e 0.307(1) 0. 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al 1 0.0299 0.0299 0.0255 0.0149 0.0000 0.0000 (22) (22) (22) (11) O 1 0.0282 0.0290 0.0275 0.0145 0.0023 0.0046 (28) (37) (33) (18) (12) (24) REM TEM 2170 RVAL 0.038 COL ICSD Collection Code 24005 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Crystal Structures of Hematite and Corundum REF Journal of the American Chemical Society JACSA 47 (1925) 781-790 AUT Pauling L, Hendricks˙S˙B CELL a=5.120(10) b=5.120(10) c=5.120(10) à=55.3 á=55.3 ç=55.3 V=84.5 D=3.99 Z=2 SGR R -3 c R (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR10 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 4c 0.355(1) 0.355(1) 0.355(1) O 1 -2.000 6e 0.553(3) -0.053(3) 1/4 WYCK e c REM M PDF 43-1484 REM M Coordinates shifted by 1/4 1/4 1/4 (origin from 32 to 3-) TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 24851 DATE Recorded Dec 31, 1982; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL The Analysis of Powder Diffraction Data REF Acta Crystallographica B (24,1968-38,1982) ACBCA 38 (1982) 264-269 AUT Cooper M J CELL a=4.763 b=4.763 c=13.000 à=90.0 á=90.0 ç=120.0 V=255.4 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35230(13) O 1 -2.000 18e 0.30632(17) 0. 1/4 WYCK e c ITF Al 1 B=0.174(27) ITF O 1 B=0.188(16) REM NDP (neutron diffraction from a powder) REM REF (refinement of earlier measured intensity data) REM M PDF 43-1484 REM M Coordinates transf. from rhombohedral to hexagonal setting 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 25778 DATE Recorded Sep 23, 1986; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL Refinement of the Al2 O3-alpha, Ti2 O3, V2 O3 and Cr2 O3 structures REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 117 (1962) 235-237 AUT Newnham R E, de Haan˙Y˙M CELL a=4.759(1) b=4.759(1) c=12.991(5) à=90.0 á=90.0 ç=120.0 V=254.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3520(3) O 1 -2.000 18e 0.306(4) 0. 1/4 WYCK e c REM SFP (structure from projections) REM M PDF 43-1484 RVAL 0.090 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 26790 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL Strukturuntersuchungen im System Al2 O3 - Cr2 O3 REF Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ZEKGA 120 (1964) 342-348 AUT Saalfeld H CELL a=5.128 b=5.128 c=5.128 à=55.3 á=55.3 ç=55.3 V=84.9 Z=2 SGR R -3 c R (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR10 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 4c 0.145 0.145 0.145 O 1 -2.000 6e -0.053 0.553 1/4 WYCK e c REM M PDF 43-1484 RVAL 0.180 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 31545 DATE Recorded Dec 31, 1980; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Structural Refinement of Neutron and X-Ray Data by the Rietveld Method: Application to Al2 O3 and Bi V O4 REF National Bureau of Standards (U.S.), Special Publication XNBSA 567 (1980) 189-201 AUT Cox D E, Moodenbaugh˙A˙R, Sleight˙A˙W, Chen˙H˙Y CELL a=4.764(0) b=4.764(0) c=13.009(0) à=90.0 á=90.0 ç=120.0 V=255.7 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35221(8) O 1 -2.000 18e 0.30636(9) 0. 1/4 WYCK e c ITF Al 1 B=0.22(2) ITF O 1 B=0.23(1) REM NDP (neutron diffraction from a powder) REM M PDF 43-1484 RVAL 0.018 COL ICSD Collection Code 31546 DATE Recorded Dec 31, 1980; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Structural Refinement of Neutron and X-Ray Data by the Rietveld Method: Application to Al2 O3 and Bi V O4 REF National Bureau of Standards (U.S.), Special Publication XNBSA 567 (1980) 189-201 AUT Cox D E, Moodenbaugh˙A˙R, Sleight˙A˙W, Chen˙H˙Y CELL a=4.759(0) b=4.759(0) c=12.991(0) à=90.0 á=90.0 ç=120.0 V=254.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35200(7) O 1 -2.000 18e 0.3064(3) 0. 1/4 WYCK e c ITF Al 1 B=0.40(1) ITF O 1 B=0.51(2) REM XDP (X-ray diffraction from a powder) REM M PDF 43-1484 RVAL 0.038 COL ICSD Collection Code 31547 DATE Recorded Dec 31, 1980; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Structural Refinement of Neutron and X-Ray Data by the Rietveld Method: Application to Al2 O3 and Bi V O4 REF National Bureau of Standards (U.S.), Special Publication XNBSA 567 (1980) 189-201 AUT Cox D E, Moodenbaugh˙A˙R, Sleight˙A˙W, Chen˙H˙Y CELL a=4.759(0) b=4.759(0) c=12.991(0) à=90.0 á=90.0 ç=120.0 V=254.8 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3522(2) O 1 -2.000 18e 0.3066(8) 0. 1/4 WYCK e c ITF Al 1 B=0.24(6) ITF O 1 B=0.15(8) REM XDP (X-ray diffraction from a powder) REM M PDF 43-1484 RVAL 0.053 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 31548 DATE Recorded Dec 31, 1980; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Structural Refinement of Neutron and X-Ray Data by the Rietveld Method: Application to Al2 O3 and Bi V O4 REF National Bureau of Standards (U.S.), Special Publication XNBSA 567 (1980) 189-201 AUT Cox D E, Moodenbaugh˙A˙R, Sleight˙A˙W, Chen˙H˙Y CELL a=4.764(0) b=4.764(0) c=13.009(0) à=90.0 á=90.0 ç=120.0 V=255.7 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3521(2) O 1 -2.000 18e 0.3060(2) 0. 1/4 WYCK e c ITF Al 1 B=0.26(5) ITF O 1 B=0.25(3) REM NDP (neutron diffraction from a powder) REM M PDF 43-1484 RVAL 0.019 COL ICSD Collection Code 33639 DATE Recorded Nov 5, 1984; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 REF Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse SUNVA 1928 (1928) 1-165 AUT Zachariasen W H CELL a=5.130(20) b=5.130(20) c=5.130(20) à=55.3(1) á=55.3(1) ç=55.3(1) V=85.0 D=3.99 Z=2 SGR R -3 c R (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR10 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 4c 0.35(1) 0.35(1) 0.35(1) O 1 -2.000 6e -0.05 0.55 1/4 WYCK e c REM XDP (X-ray diffraction from a powder) REM M Coordinates shifted by 1/4 1/4 1/4 (origin from 32 to 3-) REM M PDF 43-1484 REM M Hexagonal setting: a=4.76, c=13.01 TEST No R value given in the paper. (Code 51) TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 200140 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME ALUMINIUM OXIDE - Cr doped MINR Corundum - synthetic MINR (Ruby) FORM Al2 O3 = Al2 O3 TITL Crystal structure and compressibility of ruby to 80 kbar REF Carnegie Institution of Washington: Yearbook CIWYA 76 (1977) 525-527 AUT Finger L W, Hazen˙R˙M CELL a=4.761(1) b=4.761(1) c=12.995(2) à=90.0 á=90.0 ç=120.0 V=255.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3522(1) O 1 -2.000 18e 0.3061(5) 0. 1/4 WYCK e c ITF Al 1 B=0.31 ITF O 1 B=0.33 REM M PDF 43-1484 RVAL 0.030 COL ICSD Collection Code 200141 DATE Recorded Jan 1, 1980; updated Nov 10, 1997 NAME ALUMINIUM OXIDE - Cr doped MINR Corundum - synthetic MINR (Ruby) FORM Al2 O3 = Al2 O3 TITL Crystal structure and compressibility of ruby to 80 kbar REF Carnegie Institution of Washington: Yearbook CIWYA 76 (1977) 525-527 AUT Finger L W, Hazen˙R˙M CELL a=4.718(4) b=4.718(4) c=12.818(10) à=90.0 á=90.0 ç=120.0 V=247.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3514(2) O 1 -2.000 18e 0.3054(12) 0. 1/4 WYCK e c ITF Al 1 B=0.24 ITF O 1 B=0.74 REM PRE 80000 atm RVAL 0.055 COL ICSD Collection Code 60419 DATE Recorded Dec 3, 1986; updated Nov 10, 1997 NAME Aluminium oxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Ruby structure peculiarities derived from X-ray data. Localization of chromium atoms and electron deformation density REF Physica Status Solidi, Sectio A: Applied Research PSSAB 87 (1985) 425-433 AUT Tsirelson V G, Antipin˙M˙Y, Gerr˙R˙G, Ozerov˙R˙P, Struchkov˙Y˙T CELL a=4.761(1) b=4.761(1) c=12.994(1) à=90.0 á=90.0 ç=120.0 V=255.0 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 18e 0.69365(3) 0. 1/4 Al 1 3.000 12c 0. 0. 0.35217(1) WYCK e c ˙ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) O 1 0.2610 0.2870 0.3000 -0.1435 0.0250 0.0000 (20) (20) (20) (10) Al 1 0.2150 0.2150 0.2310 -0.1075 0.0000 0.0000 (20) (20) (20) (1) REM EDS (electron diffraction from a single crystal) REM TEM 295 REM M PDF 10-173 RVAL 0.063 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 63647 DATE Recorded Dec 19, 1988; updated Nov 10, 1997 NAME Dialuminium trioxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Rietveld refinement of Debeye-Scherrer synchrotron X-Ray data from Al2O3 REF Journal of Applied Crystallography JACGA 20 (1987) 79-83 AUT Thompson P, Cox˙D˙E, Hastings˙J˙B CELL a=4.759(0) b=4.759(0) c=12.990(0) à=90.0 á=90.0 ç=120.0 V=254.7 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3518(1) O 1 -2.000 18e 0.6918(6) 0. 1/4 WYCK e c ITF Al 1 B=0.68(5) ITF O 1 B=0.71(7) REM SNP (synchroton radiation, powder diffraction) REM M PDF 43-1484 TEST No R value given in the paper. (Code 51) COL ICSD Collection Code 63648 DATE Recorded Dec 19, 1988; updated Nov 10, 1997 NAME Dialuminium trioxide MINR Corundum FORM Al2 O3 = Al2 O3 TITL Rietveld refinement of Debeye-Scherrer synchrotron X-Ray data from Al2O3 REF Journal of Applied Crystallography JACGA 20 (1987) 79-83 AUT Thompson P, Cox˙D˙E, Hastings˙J˙B CELL a=4.759(0) b=4.759(0) c=12.990(0) à=90.0 á=90.0 ç=120.0 V=254.7 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3518(1) O 1 -2.000 18e 0.6914(6) 0. 1/4 WYCK e c ITF Al 1 B=0.68(5) ITF O 1 B=0.74(7) REM SNP (synchroton radiation, powder diffraction) REM F Preferred-orientation correction was applied REM M PDF 43-1484 TEST No R value given in the paper. (Code 51) COL ICSD Collection Code 68591 DATE Recorded Jul 10, 1991; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 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=4.760(0) b=4.760(0) c=12.996(0) à=90.0 á=90.0 ç=120.0 V=255.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35216(3) O 1 -2.000 18e 0.30668(16) 0. 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al 1 0.0022 0.0022 0.0012 0.0011 0.0000 0.0000 (2) (2) (3) O 1 0.0021 0.0034 0.0019 0.0017 0.0003 0.0007 (71) (149) (3) (54) REM XDP (X-ray diffraction from a powder) REM RVP REM M PDF 43-1484 RVAL 0.038 COL ICSD Collection Code 73076 DATE Recorded Jun 30, 1994; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL The electron distribution in corundum. A study of the utility of merging single-crystal and powder diffraction data REF Acta Crystallographica A (39,1983-) ACACE 49 (1993) 513-527 AUT Brown A S, Spackman˙M˙A, Hill˙R˙J CELL a=4.760 b=4.760 c=12.993 à=90.0 á=90.0 ç=120.0 V=254.9 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35215(1) O 1 -2.000 18e 0.30624(5) 0. 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al 1 0.0028 0.0028 0.0030 0.0014 0.0000 0.0000 (0) (0) (0) (0) O 1 0.0033 0.0034 0.0036 0.0017 0.0003 0.0006 (0) (0) (0) (0) REM DEN (accurate electron density determination) REM AHT (anharmonic temperature factor given) REM M PDF 43-1484 RVAL 0.026 COL ICSD Collection Code 73724 DATE Recorded Jan 10, 1995; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL Synchrotron X-ray study of the electron density in alpha-Al2O3 REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 973-980 AUT Maslen E N, Streltsov˙V˙A, Streltsova˙N˙R, Ishizawa˙N, Satow˙Y CELL a=4.754(1) b=4.754(1) c=12.982(1) à=90.0 á=90.0 ç=120.0 V=254.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35223(4) O 1 -2.000 18e 0.69378(17) 0. 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al 1 0.0021 0.0021 0.0025 0.0010 0.0000 0.0000 (1) (1) (2) (1) O 1 0.0025 0.0026 0.0028 0.0013 0.0003 0.0006 (2) (3) (3) (1) (1) (2) REM DEN (accurate electron density determination) REM SNS (synchroton radiation, single crystal) REM M PDF 43-1484 RVAL 0.024 COL ICSD Collection Code 73725 DATE Recorded Jan 10, 1995; updated Nov 10, 1997 NAME Aluminium oxide - alpha MINR Corundum FORM Al2 O3 = Al2 O3 TITL Synchrotron X-ray study of the electron density in alpha-Al2O3 REF Acta Crystallographica B (39,1983-) ASBSD 49 (1993) 973-980 AUT Maslen E N, Streltsov˙V˙A, Streltsova˙N˙R, Ishizawa˙N, Satow˙Y CELL a=4.754(1) b=4.754(1) c=12.982(1) à=90.0 á=90.0 ç=120.0 V=254.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.35227(5) O 1 -2.000 18e 0.69396(24) 0. 1/4 WYCK e c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Al 1 0.0022 0.0022 0.0022 0.0011 0.0000 0.0000 (2) (2) (2) (1) O 1 0.0026 0.0030 0.0021 0.0015 0.0003 0.0005 (3) (4) (4) (3) (2) (3) REM DEN (accurate electron density determination) REM M PDF 43-1484 RVAL 0.025 COL ICSD Collection Code 64713 DATE Recorded Nov 10, 1997 NAME Aluminium oxide - Cr-doped MINR Corundum MINR (Ruby) FORM Al2 O3 = Al2 O3 FORM (Al.996 Cr.004)2 O3 TITL Crystal structure and compression of ruby to 46 kbar REF Journal of Applied Physics JAPIA 49 (1978) 5823-5826 AUT Finger L W, Hazen˙R˙M CELL a=4.718(6) b=4.718(6) c=12.818(14) à=90.0 á=90.0 ç=120.0 V=247.1 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.3514(2) O 1 -2.000 18e 0.3054(12) 0. 1/4 WYCK e c ITF Al 1 B=0.24(5) ITF O 1 B=0.74(9) REM PRE 80 kbar REM M Measured under nonhydrostatic conditions RVAL 0.055 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 82504 DATE Recorded Nov 10, 1997 NAME Aluminium oxide - theta FORM Al2 O3 = Al2 O3 TITL Structural studies of transition aluminas. Theta alumina REF European Journal of Solid State Inorganic Chemistry EJSCE 33 (1996) 1223-1231 AUT Husson E, Repelin˙Y CELL a=11.795(5) b=2.910(10) c=5.621(7) à=90.0 á=103.8 ç=90.0 V=187.4 Z=4 SGR C 1 2/m 1 (12) - monoclinic CLAS 2/m (Hermann-Mauguin) - C2h (Schoenflies) PRS mC20 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- O 1 -2.000 4i 0.16268 0. 0.12276 O 2 -2.000 4i 0.48945 0. 0.26127 O 3 -2.000 4i 0.82995 0. 0.43863 Al 1 3.000 4i 0.10134 0. 0.7944 Al 2 3.000 4i 0.35235 0. 0.68739 WYCK i5 ITF O 1 B=1.15 ITF O 2 B=0.56 ITF O 3 B=0.54 ITF Al 1 B=2.06 ITF Al 2 B=1.28 REM XDP (X-ray diffraction from a powder) REM EDP (electron diffraction from a powder) RVAL 0.060 COL ICSD Collection Code 30024 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.766(1) b=4.766(1) c=13.010(14) à=90.0 á=90.0 ç=120.0 V=255.9 D=4.00 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM M PDF 43-1484, x(O1) = .556 refers to rhombohedral setting REM M alpha(rh)=55.33 grd remains nearly constant up to 90 kbar RVAL 0.044 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 30025 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.752(1) b=4.752(1) c=12.965(17) à=90.0 á=90.0 ç=120.0 V=253.5 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM PRE 2855 REM M x(O1) = .556 refers to rhombohedral setting RVAL 0.044 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 30026 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.742(1) b=4.742(1) c=12.921(20) à=90.0 á=90.0 ç=120.0 V=251.6 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM PRE 4283 REM M x(O1) = .556 refers to rhombohedral setting RVAL 0.044 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 30027 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.735(1) b=4.735(1) c=12.901(17) à=90.0 á=90.0 ç=120.0 V=250.5 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM PRE 6118 REM M x(O1) = .556 refers to rhombohedral setting RVAL 0.044 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 30028 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.724(1) b=4.724(1) c=12.881(18) à=90.0 á=90.0 ç=120.0 V=249.0 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM PRE 7446 REM M x(O1) = .556 refers to rhombohedral setting RVAL 0.044 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 30029 DATE Recorded Sep 4, 1984; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.721(1) b=4.721(1) c=12.872(14) à=90.0 á=90.0 ç=120.0 V=248.5 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM PRE 8260 REM M x(O1) = .556 refers to rhombohedral setting RVAL 0.044 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 30030 DATE Recorded Jan 1, 1980; updated Jan 19, 1999 NAME Aluminium oxide MINR Corundum (Cr-doped) - synthetic (Oriel Optics Corp.) MINR (Ruby) MINR Hematite group FORM Al2 O3 = Al2 O3 FORM Al1.99933 Cr.00067 O3 TITL High-pressure single-crystal structure determinations for ruby up to 90 kbar using an automatic diffractometer REF Journal of Applied Physics JAPIA 49 (1978) 4411-4416 AUT d'Amour H, Schiferl˙D, Schulz˙H, Denner˙W, Holzapfel˙W˙B CELL a=4.714(1) b=4.714(1) c=12.851(22) à=90.0 á=90.0 ç=120.0 V=247.4 Z=6 SGR R -3 c H (167) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hR30 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 12c 0. 0. 0.352 O 1 -2.000 18e 0.306 0. 1/4 WYCK e c ITF Al 1 B=0.14 ITF O 1 B=0.22 REM PRE 9177 REM M x(O1) = .556 refers to rhombohedral setting RVAL 0.096 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 84375 DATE Recorded Jan 19, 1999 NAME Aluminium oxide - kappa FORM Al2 O3 = Al2 O3 TITL Crystal structure of kappa-alumina: an X-ray powder diffraction, TEM and NMR study REF Journal of Materials Chemistry JMACE 7 (1997) 1049-1056 Issue 6 AUT Ollivier B, Retoux˙R, Lacorre˙P, Massiot˙D, Ferey˙G CELL a=4.844(0) b=8.330(0) c=8.955(0) à=90.0 á=90.0 ç=90.0 V=361.3 Z=8 SGR P n a 21 (33) - orthorhombic CLAS mm2 (Hermann-Mauguin) - C2v (Schoenflies) PRS oP40 ANX A2X3 PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF- Al 1 3.000 4a 0.6787(6) 0.8416(4) 0. Al 2 3.000 4a 0.1846(11) 0.3432(7) 0.7868(7) Al 3 3.000 4a 0.8115(8) 0.6489(5) 0.6972(7) Al 4 3.000 4a 0.6677(7) 0.4696(3) 0.9993(11) O 1 -2.000 4a 0.3290(16) 0.8313(9) 0.8927(7) O 2 -2.000 4a 0.0248(12) 0.4908(7) 0.6292(12) O 3 -2.000 4a 0.4717(13) 0.6647(8) 0.6381(11) O 4 -2.000 4a 0.5145(15) 0.6728(7) 0.1212(9) O 5 -2.000 4a 0.8608(16) 0.3301(11) 0.8662(7) O 6 -2.000 4a 0.3360(17) 0.4992(7) 0.9000(8) WYCK a10 ITF Al 1 B=0.41(1) ITF Al 2 B=1.32(9) ITF Al 3 B=0.16(6) ITF Al 4 B=0.35(5) ITF O 1 B=0.27(4) ITF O 2 B=0.27(4) ITF O 3 B=0.27(4) ITF O 4 B=0.27(4) ITF O 5 B=0.27(4) ITF O 6 B=0.27(4) REM XDP (X-ray diffraction from a powder) REM RVP RVAL 0.033 TEST At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. (Code 52)