COL ICSD Collection Code 9389 DATE Recorded Jan 1, 1980 NAME Titanium zirconium oxide (2/1/1) - omega $* FORM Ti2 Zr O = O Ti2 Zr TITL Description de la structure cristallographique d'une phase nouvelle omega' (O) observee dans les alliages titane-zirconium- oxygene REF Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) CHDCA 274 (1972) 444-447 AUT Dechamps M, Dubertret˙A, Lehr˙P CELL a=4.838 b=8.147 c=6.107 à=90.0 á=90.0 ç=90.0 V=240.7 Z=4 SGR C m m m (65) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oC16 ANX NOP2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ti 1 0.000 8n 0. 0.338 0.254 Zr 1 0.000 2a 0. 0. 0. Zr 2 0.000 2d 0. 0. 1/2 O 1 0.000 4e 1/2 1/4 0. WYCK n e d a ITF Ti 1 B=2.25 ITF Zr 1 B=2.25 ITF Zr 2 B=2.25 ITF O 1 B=2.25 RVAL 0.059 COL ICSD Collection Code 9443 DATE Recorded Jan 1, 1980 NAME Titanium zirconium oxide (2/1/1) - omega $* FORM Ti2 Zr O = O Ti2 Zr TITL Transformations beta - omega dans les alliages metalliques du systeme ternaire Ti - Zr - O REF Materials Research Bulletin MRBUA 7 (1972) 1369-1384 AUT Dechamps M, Lehr˙P CELL a=4.839 b=8.149 c=6.104 à=90.0 á=90.0 ç=90.0 V=240.7 Z=4 SGR C m m m (65) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oC16 ANX NOP2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ti 1 0.000 8n 0. 0.338 0.254 Zr 1 0.000 2a 0. 0. 0. Zr 2 0.000 2d 0. 0. 1/2 O 1 0.000 4e 1/4 1/4 0. WYCK n e d a ITF Ti 1 B=2.25 ITF Zr 1 B=2.25 ITF Zr 2 B=2.25 ITF O 1 B=2.25 RVAL 0.059 COL ICSD Collection Code 20119 DATE Recorded Sep 24, 1986; updated Sep 24, 1986 NAME Titanium zirconium oxide (2/1/1) FORM Ti2 Zr O = O Ti2 Zr TITL The crystal structure of the suboxide Ti2 Zr O REF Doklady Akademii Nauk SSSR DANKA 182 (1968) 576-579 AUT Fykin L E, Glazova˙V˙V, Kornilov˙I˙I, Ozerov˙R˙P, Smirnov˙V˙P, Solov'ev˙S˙P CELL a=4.788 b=4.788 c=3.043 à=90.0 á=90.0 ç=120.0 V=60.4 Z=1 SGR P 6/m m m (191) - hexagonal CLAS 6/mmm (Hermann-Mauguin) - D6h (Schoenflies) PRS hP4 ANX NOP2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 0.000 1a 0. 0. 0. Ti 1 0.000 2d 1/3 2/3 1/2 O 1 0.000 3f 1/2 0. 0. 0.333 WYCK f d a ITF Zr 1 B=0.6 ITF Ti 1 B=0.6 ITF O 1 B=0.6 RVAL 0.068 COL ICSD Collection Code 27311 DATE Recorded Jan 1, 1980; updated Jan 22, 1988 NAME Zirconium tetraoxotitanate FORM Zr Ti O4 = O4 Ti Zr TITL Ctystal Structure of Zr Ti O4 REF Journal of the American Ceramic Society JACTA 50 (1967) 216 AUT Newnham R E CELL a=4.806 b=5.447 c=5.032 à=90.0 á=90.0 ç=90.0 V=131.7 Z=2 SGR P b c n (60) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP12 ANX AX2 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ti 1 4.000 4c 0. 0.3 1/4 0.5 Zr 1 4.000 4c 0. 0.3 1/4 0.5 O 1 -2.000 8d 0.276 0.111 0.058 WYCK d c RVAL 0.080 TEST At least one temperature factor missing in the paper. (Code 53) COL ICSD Collection Code 31311 DATE Recorded Dec 31, 1983 NAME Zirconium titanium oxide (.3/.7/2) MINR Srilankite - from Rakwana, Sri Lanka FORM Zr0.33 Ti0.67 O2 = O2 Ti.67 Zr.33 TITL (Zr0.33 Ti0.67) O2 - ein natuerliches Zirkonium-Titanoxid mit alpha-Pb O2-Struktur REF Zeitschrift fuer Kristallographie (149,1979-) ZEKRD 164 (1983) 59-66 AUT Willgallis A, Hartl˙H CELL a=4.706 b=5.553 c=5.024 à=90.0 á=90.0 ç=90.0 V=131.3 Z=4 SGR P b c n (60) - 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. 0.1837 1/4 0.33 Ti 1 4.000 4c 0. 0.1837 1/4 0.67 O 1 -2.000 8d 0.2729 0.389 0.4225 WYCK d c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Zr 1 0.0113 0.0126 0.0127 0.0000 -0.0038 0.0000 Ti 1 0.0113 0.0126 0.0127 0.0000 -0.0038 0.0000 O 1 0.0150 0.0110 0.0180 -0.0020 0.0040 0.0040 RVAL 0.034 COL ICSD Collection Code 201960 DATE Recorded Dec 19, 1988 NAME Zirconium titanate - high temperature phase FORM (Zr.5 Ti.5) O2 = O2 Ti.5 Zr.5 TITL Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 REF Journal of Solid State Chemistry JSSCB 64 (1986) 30-46 AUT Bordet P, McHale˙A, Santoro˙A, Roth˙R˙S CELL a=4.804 b=5.483 c=5.031 à=90.0 á=90.0 ç=90.0 V=132.5 Z=4 SGR P b c n (60) - 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. 0.265 1/4 0.5 Ti 1 4.000 4c 0. 0.265 1/4 0.5 O 1 -2.000 8d 0.2704 0.1004 0.07 WYCK d c ITF Zr 1 B=0.3 ITF Ti 1 B=0.3 ITF O 1 B=0.5 REM NDP (neutron diffraction from a powder) RVAL 0.143 COL ICSD Collection Code 69619 DATE Recorded Aug 20, 1992 NAME Zirconium titanium oxide FORM (Zr Ti) O4 = O4 Ti Zr TITL ZrSn0.5Ti0.5O4 als Wirtsstruktur fuer keramische Farbkoerper. Strukturuntersuchungen an ZrTiO4/4 und ZrSn0.5Ti0.5O4 REF Zeitschrift fuer Anorganische und Allgemeine Chemie ZAACA 582 (1990) 93-102 AUT Siggel A, Jansen˙M CELL a=4.786 b=5.476 c=5.028 à=90.0 á=90.0 ç=90.0 V=131.7 D=5.06 Z=2 SGR P b c n (60) - 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. 0.2025 1/4 0.5 Ti 1 4.000 4c 0. 0.2025 1/4 0.5 O 1 -2.000 8d 0.2689 0.4024 0.4337 WYCK d c ˙ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Zr 1 0.0285 0.0314 0.0339 0.0000 -0.0130 0.0000 Ti 1 0.0285 0.0314 0.0339 0.0000 -0.0130 0.0000 O 1 0.0307 0.0268 0.0563 -0.0020 0.0058 0.0154 RVAL 0.027 TEST Calculated density unusual but tolerable. (Code 23) COL ICSD Collection Code 201961 DATE Recorded Dec 19, 1988; updated May 13, 1997 NAME Zirconium titanium oxide (5/7/24) FORM (Zr4.76 Ti7.24) O24 = O24 Ti7.24 Zr4.76 TITL Powder neutron diffraction study of Zr Ti O4, Zr5 Ti7 O24 and Fe Nb2 O6 REF Journal of Solid State Chemistry JSSCB 64 (1986) 30-46 AUT Bordet P, McHale˙A, Santoro˙A, Roth˙R˙S CELL a=14.357 b=5.325 c=5.020 à=90.0 á=90.0 ç=90.0 V=383.8 Z=1 SGR P b c n (60) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oP36 ANX AB2X6 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Zr 1 4.000 4c 0. 0.2629 1/4 0.968(3) Ti 1 4.000 4c 0. 0.2629 1/4 0.032(3) Zr 2 4.000 8d 0.3324 0.3335 0.1798 0.111(5) Ti 2 4.000 8d 0.3324 0.3335 0.1798 0.889(5) O 1 -2.000 8d 0.0873 0.0668 -0.0234 O 2 -2.000 8d 0.4194 0.0824 0.0599 O 3 -2.000 8d 0.76 0.1226 0.1402 WYCK d4 c ITF Zr 1 B=0.64(9) ITF Ti 1 B=0.64(9) ITF Zr 2 B=1.2(2) ITF Ti 2 B=1.2(2) ITF O 1 B=1.19(8) ITF O 2 B=0.76(8) ITF O 3 B=1.61(7) REM NDP (neutron diffraction from a powder) RVAL 0.099