COL ICSD Collection Code 1396 DATE Recorded Jan 1, 1980 NAME Tantalum nitride (1/1) - epsilon FORM Ta N = N Ta TITL A reinvestigation of the structure of epsilon-tantalum nitride REF Acta Crystallographica B (24,1968-38,1982) ACBCA 34 (1978) 261-263 AUT Christensen A N, LebechÿB CELL a=5.196 b=5.196 c=2.911 à=90.0 á=90.0 ç=120.0 V=68.1 Z=3 SGR P -6 2 m (189) - hexagonal CLAS -6m2 (Hermann-Mauguin) - D3h (Schoenflies) PRS hP6 ANX NO PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 0.000 1a 0. 0. 0. Ta 2 0.000 2d 1/3 2/3 1/2 N 1 0.000 3f 0.3928 0. 0. WYCK f d a ITF Ta 1 B=0.36 ITF Ta 2 B=0.14 ITF N 1 B=0.23 REM NDP (neutron diffraction from a powder) RVAL 0.037 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 1456 DATE Recorded Jan 1, 1980 NAME Tantalum nitride (1/0.4) - beta FORM Ta N0.43 = N.43 Ta TITL Preparation and crystal structure of beta-Ta2 N REF Journal of Solid State Chemistry JSSCB 20 (1977) 205-207 AUT Conroy L E, Noerlund ChristensenÿA CELL a=5.285 b=5.285 c=4.919 à=90.0 á=90.0 ç=120.0 V=119.0 Z=3 SGR P -3 1 m (162) - trigonal CLAS -3m (Hermann-Mauguin) - D3d (Schoenflies) PRS hP4 ANX NO3 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 0.000 6k 1/3 0. 1/4 0.5 N 1 0.000 2d 1/3 2/3 1/2 0.400(5) N 2 0.000 1a 0. 0. 0. 0.490(1) WYCK k d a ITF Ta 1 B=0.23 ITF N 1 B=0.23(5) ITF N 2 B=0.23(1) REM NDP (neutron diffraction from a powder) RVAL 0.056 COL ICSD Collection Code 16253 DATE Recorded Jan 1, 1980 NAME Tantalum nitride FORM Ta3 N5 = N5 Ta3 TITL Die Kristallstruktur des Tantal(V)nitrids Ta3 N5 REF Zeitschrift fuer Anorganische und Allgemeine Chemie ZAACA 402 (1973) 47-57 AUT Straehle J CELL a=3.893 b=10.264 c=10.264 à=90.0 á=90.0 ç=90.0 V=410.1 Z=4 SGR C m c m (63) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oC32 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 5.000 4c 0. 0.29757 1/4 Ta 2 5.000 8f 0. 0.13429 0.5601 N 1 -3.000 4c 0. 0.7627 1/4 N 2 -3.000 8f 0. 0.047 0.1188 N 3 -3.000 8f 0. 0.3097 0.0732 WYCK f3 c2 ITF N 1 B=0.4 ITF N 2 B=0.4 ITF N 3 B=0.3 ÿ TF Atom á(1,1) á(2,2) á(3,3) á(1,2) á(1,3) á(2,3) Ta 1 0.0058 0.0007 0.0005 0.0000 0.0000 0.0000 Ta 2 0.0053 0.0007 0.0006 0.0000 0.0000 0.0000 RVAL 0.045 COL ICSD Collection Code 25659 DATE Recorded Jan 1, 1980 NAME Tantalum(III) nitride FORM Ta N = N Ta TITL Die Nitride des Tantals REF Zeitschrift fuer Anorganische und Allgemeine Chemie ZAACA 277 (1954) 129-139 AUT Brauer G, ZappÿKÿH CELL a=5.191 b=5.191 c=2.911 à=90.0 á=90.0 ç=120.0 V=67.9 D=13.80 Z=3 SGR P 6/m m m (191) - hexagonal CLAS 6/mmm (Hermann-Mauguin) - D6h (Schoenflies) PRS hP6 ANX AX PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 3.000 1a 0. 0. 0. Ta 2 3.000 2d 1/3 2/3 1/2 N 1 -3.000 3f 1/2 0. 0. WYCK f d a REM XDP (X-ray diffraction from a powder) TEST Calculated density unusual but tolerable. (Code 23) 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 29328 DATE Recorded Jan 1, 1980; updated May 16, 1984 NAME Tetratantalum pentanitride FORM Ta4 N5 = N5 Ta4 TITL Nouveaux Nitrures de Tantale. Nitrure et Oxynitrures Mixtes de Tantale et de Niobium REF Revue Internationale des Hautes Temperatures et des Refractaires RIHTA 6 (1969) 181-191 AUT Fontbonne A, GillesÿJÿC CELL a=6.831 b=6.831 c=4.269 à=90.0 á=90.0 ç=90.0 V=199.2 Z=2 SGR I 4/m (87) - tetragonal CLAS 4/m (Hermann-Mauguin) - C4h (Schoenflies) PRS tI18 ANX A4X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 3.750 8h 0.2 0.4 0. N 1 -3.000 8h 0.1 0.7 0. N 2 -3.000 2b 0. 0. 1/2 WYCK h2 b 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 29329 DATE Recorded Jan 1, 1980; updated Jul 25, 1988 NAME Pentatantalum hexanitride FORM Ta5 N6 = N6 Ta5 TITL Nouveaux Nitrures de Tantale. Nitrure et Oxynitrures Mixtes de Tantale et de Niobium REF Revue Internationale des Hautes Temperatures et des Refractaires RIHTA 6 (1969) 181-191 AUT Fontbonne A, GillesÿJÿC CELL a=5.176 b=5.176 c=10.353 à=90.0 á=90.0 ç=120.0 V=240.2 Z=2 SGR P 63/m c m (193) - hexagonal CLAS 6/mmm (Hermann-Mauguin) - D6h (Schoenflies) PRS hP22 ANX A5X6 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 3.600 4d 1/3 2/3 0. Ta 2 3.600 6g 0.32 0. 1/4 N 1 -3.000 12k 0.34 0. 5/8 WYCK k g d RVAL 0.098 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 66533 DATE Recorded Jan 19, 1994 NAME Tritantalum nitride FORM Ta3 N5 = N5 Ta3 TITL Structure of Ta3N5 at 16 K by time-of-flight neutron diffraction REF Acta Crystallographica C (39,1983-) ACSCE 47 (1991) 2291-2294 AUT Brese N E, O'KeefeÿM, RauchÿP, DiSalvoÿFÿJ CELL a=3.886 b=10.212 c=10.262 à=90.0 á=90.0 ç=90.0 V=407.3 Z=4 SGR C m c m (63) - orthorhombic CLAS mmm (Hermann-Mauguin) - D2h (Schoenflies) PRS oC32 ANX A3X5 PARM Atom__No OxStat Wyck ---X--- ---Y--- ---Z--- -SOF- Ta 1 5.000 4c 0. 0.1971 1/4 Ta 2 5.000 8f 0. 0.13455 0.55906 N 1 -3.000 4c 0. 0.76322 1/4 N 2 -3.000 8f 0. 0.04701 0.11949 N 3 -3.000 8f 0. 0.30862 0.07378 WYCK f3 c2 ÿ TF Atom U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ta 1 0.0048 0.0083 0.0037 0.0000 0.0000 0.0000 Ta 2 0.0037 0.0075 0.0069 0.0000 0.0100 0.0000 N 1 0.0080 0.0086 0.0088 0.0000 0.0000 0.0000 N 2 0.0136 0.0081 0.0083 0.0000 -0.0008 0.0000 N 3 0.0070 0.0083 0.0095 0.0000 0.0012 0.0000 REM TEM 16 REM NDP (neutron diffraction from a powder) REM RVP RVAL 0.043