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跪求V2C的晶体结构！
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*data for ICSD #22263 Coll Code 22263 Rec Date 1980/01/01 Mod Date 2007/08/01 Chem Name Vanadium Carbide (1/1) Structured V C Sum C1 V1 ANX NO D(calc) 5.79 Title Roentgenographische Untersuchungen von Karbidsystemen Author(s) Nowotny, H.;Kieffer, R. Reference Metallforschung (1947), 2, 257-265 Acta Chemica Scandinavica (1-27,1973-42,1988) (1954), 8, 624-626 Unit Cell 4.165 4.165 4.165 90. 90. 90. Vol 72.25 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF8 Wyckoff b a Red Cell F 2.945 2.945 2.945 60 60 60 18.063 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Cell for V C.75: 4.136, for V C.96: 4.182 (2nd reference) The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-0476 The structure has been assigned a PDF number (experimental powder diffraction data): 35-786 Structure type : NaCl X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H V 1 +0 4 a 0 0 0 1. 0 C 1 +0 4 b 0.5 0.5 0.5 1. 0 *end for ICSD #22263 *data for ICSD #9965 Coll Code 9965 Rec Date 1980/01/01 Chem Name Vanadium Carbide (2/1) Structured V2 C Sum C1 V2 ANX NO2 D(calc) 5.73 Title Investigation of the Rhombic Modification of Carbide, V2 C Author(s) Arbuzov, M.P.;Khaenko, B.V.;Fak, V.G. Reference Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki (1977), 1977, 153-156 Unit Cell 4.57 5.742 5.026 90. 90. 90. Vol 131.89 Z 4 Space Group P b c n SG Number 60 Cryst Sys orthorhombic Pearson oP12 Wyckoff d c Red Cell P 4.57 5.026 5.742 89.999 89.999 90 131.887 Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-1258 Structure type : Fe2N-zeta X-ray diffraction from single crystal No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H V 1 +0 8 d 0.25 0.134 0.088 1. 0 C 1 +0 4 c 0 0.375 0.25 1. 0 *end for ICSD #9965 *data for ICSD #9982 Coll Code 9982 Rec Date 1980/01/01 Mod Date 2007/08/01 Chem Name Vanadium Carbide (2/1) Structured V2 C Sum C1 V2 ANX NO2 D(calc) 5.74 Title X-ray study of the crystal structure of carbide V2 C rhombic modification Author(s) Khaenko, B.V. Reference Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki (1979), 41, 387-391 Unit Cell 4.567 5.744 5.026 90. 90. 90. Vol 131.85 Z 4 Space Group P b c n SG Number 60 Cryst Sys orthorhombic Pearson oP12 Wyckoff d c R Value .17 Red Cell P 4.567 5.026 5.744 89.999 89.999 90 131.846 Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000 Comments Structure type : Fe2N-zeta X-ray diffraction from single crystal At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H V 1 +0 8 d 0.247 0.132 0.079 1. 0 C 1 +0 4 c 0 0.38 0.25 1. 0 *end for ICSD #9982 *data for ICSD #23797 Coll Code 23797 Rec Date 1980/01/01 Mod Date 2007/04/01 Chem Name Vanadium Carbide (2/1) Structured V2 C Sum C1 V2 ANX NO2 D(calc) 5.65 Title The crystal structures of V2 C and Ta2 C Author(s) Bowman, A.L.;Wallace, T.C.;Yarnell, J.L.;Wenzel, R.G.;Storms, E.K. Reference Acta Crystallographica (1,1948-23,1967) (1965), 19, 6-9 Planseeberichte fuer Pulvermetallurgie (1962), 10, 42-64 Unit Cell 2.9043(2) 2.9043(2) 4.5793(2) 90. 90. 120. Vol 33.45 Z 1 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP3 Wyckoff c a R Value .048 Red Cell P 2.904 2.904 4.579 90 90 120 33.451 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Cell from 2nd ref. (Rudy et al.): 2.884, 4.568 Neutron diffraction (powder) The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-1320 Structure type : Nb2N Atom # OX SITE x y z SOF H ITF(B) V 1 +0 2 c 0.3333 0.6667 0.25 1. 0 0.97 C 1 +0 2 a 0 0 0 0.5 0 0.97 *end for ICSD #23797 *data for ICSD #26953 Coll Code 26953 Rec Date 1980/01/01 Mod Date 2000/07/15 Chem Name Vanadium(IV) Carbide Structured V C Sum C1 V1 ANX AX D(calc) 5.26 Title Die Kristallstrukturen einiger binaerer Carbide und Nitride. Author(s) Becker, K.;Ebert, F. Reference Zeitschrift fuer Physik (1925), 31, 268-272 Unit Cell 4.3 4.3 4.3 90. 90. 90. Vol 79.51 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF8 Wyckoff b a Red Cell F 3.040 3.040 3.040 60 60 60 19.877 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Given sp. gr. was F23 The structure has been assigned a PDF number (experimental powder diffraction data): 74-1220 Structure type : NaCl X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H V 1 +4 4 a 0 0 0 1. 0 C 1 -4 4 b 0.5 0.5 0.5 1. 0 *end for ICSD #26953 *data for ICSD #108192 Coll Code 108192 Rec Date 2006/10/01 Chem Name Vanadium Carbide (2/1) Structured V2 C Sum C1 V2 ANX NO2 D(calc) 5.71 Title Die Kristallstruktur von V2 C Author(s) Yvon K.;Rieger, W.;Nowotny, H. Reference Monatshefte fuer Chemie (-108,1977) (1966), 97, 689-694 Unit Cell 4.577 5.742 5.037 90. 90. 90. Vol 132.38 Z 4 Space Group P b c n SG Number 60 Cryst Sys orthorhombic Pearson oP12 Wyckoff d c Red Cell P 4.577 5.037 5.742 89.999 89.999 90 132.378 Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000 Comments Structure type : Fe2N-zeta X-ray diffraction (powder) No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H V 1 +0 8 d 0.25 0.130 0.078 1. 0 C 1 +0 4 c 0 0.375 0.25 1. 0 *end for ICSD #108192 |
2楼2008-09-27 00:28:59