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htt11030226新虫 (初入文坛)
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[求助]
MoC晶体学参数 已有1人参与
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| 急求MoC晶体学参数，六方的 |
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htt11030226(dbb627代发): 金币+5, 谢谢指导 2014-04-15 15:00:41
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htt11030226(dbb627代发): 金币+5, 谢谢指导 2014-04-15 15:00:41
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其一 *data for ICSD #44987 Coll Code 44987 Rec Date 2000/12/16 Mod Date 2007/08/01 Chem Name Molybdenum Carbide (1/1) - Eta, Ht Structured Mo C Sum C1 Mo1 ANX AX D(calc) 9.38 Title Das Dreistoffsystem: Molybdaen-Silizium-Kohlenstoff Author(s) Nowotny, H.;Parthe, E.;Kieffer, R.;Benesovsky, F. Reference Monatshefte fuer Chemie (-108,1977) (1954), 85, 255-272 Planseeberichte fuer Pulvermetallurgie (1962), 10, 42-64 Unit Cell 3.01 3.01 14.61 90. 90. 120. Vol 114.63 Z 6 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP12 Wyckoff f2 b a Red Cell P 3.01 3.01 14.61 90 90 120 114.634 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments M.p. 2923 K (congruent), stable between 1473 and 2923 K AE: Mo1,2: Mo6 C6; C1,2: 6o Mo6 Later corrected to Mo3 C2 Cell from 2nd ref. (Rudy et al.): 3.013, 14.64 The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-4305 The structure has been assigned a PDF number (experimental powder diffraction data): 8-384 Structure type prototype : MoC Structure type : MoC 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 Mo 1 +4 2 b 0 0 0.25 1. 0 Mo 2 +4 4 f 0.3333 0.6667 0.083 1. 0 C 1 -4 2 a 0 0 0 1. 0 C 2 -4 4 f 0.3333 0.6667 0.667 1. 0 *end for ICSD #44987 其二 *data for ICSD #77156 Coll Code 77156 Rec Date 2003/04/01 Chem Name Molybdenum Carbide (1/1) Structured Mo C Sum C1 Mo1 ANX AX D(calc) 8.68 Title Die Mo C-Phase mit W C-Struktur Author(s) Schuster, J.;Rudy, E.;Nowotny, H. Reference Monatshefte fuer Chemie (-108,1977) (1976), 107, 1167-1176 Nature (London) (1961), 191, 1194-1194 Unit Cell 2.903 2.903 2.828 90. 90. 120. Vol 20.64 Z 1 Space Group P -6 m 2 SG Number 187 Cryst Sys hexagonal Pearson hP2 Wyckoff d a Red Cell P 2.828 2.903 2.903 120 90 90 20.64 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Cell from 2nd reference: 2.898, 2.809 The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-6027 The structure has been assigned a PDF number (experimental powder diffraction data): 45-1015 Structure type : WC 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 Mo 1 +4 1 a 0 0 0 1. 0 C 1 -4 1 d 0.3333 0.6667 0.5 1. 0 *end for ICSD #77156 其三 *data for ICSD #618298 Coll Code 618298 Rec Date 2008/08/01 Chem Name Molybdenum Carbide (1/1) Structured Mo C Sum C1 Mo1 ANX NO D(calc) 8.78 Title A new molybdenum carbide Author(s) Kuo, K.;Haegg, G. Reference Nature (London) (1952), 170, 245-245 Unit Cell 2.9320 2.9320 10.9700 90.0 90.0 120.0 Vol 81.67 Z 4 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP8 Wyckoff f d a Red Cell P 2.932 2.932 10.97 90 90 120 81.67 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Structure type : TiAs X-ray diffraction from single crystal \N No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H C 1 +0 2 a 0 0 0 1.000 0 C 2 +0 2 d 0.3333 0.6667 0.75 1.000 0 Mo 1 +0 4 f 0.3333 0.6667 0.12500 1.000 0 *end for ICSD #618298 其四 *data for ICSD #618300 Coll Code 618300 Rec Date 2008/08/01 Chem Name Molybdenum Carbide (1/1) Structured Mo C Sum C1 Mo1 ANX NO D(calc) 8.77 Title A new phase formed by high pressure treatment: Face centred cubic molybdenum monocarbide Author(s) Clougherty, E.V.;Lothrop, K.H.;Kafalas, J.A. Reference Nature (London) (1961), 191, 1194-1194 Unit Cell 2.898 2.898 2.809 90.0 90.0 120.0 Vol 20.43 Z 1 Space Group P -6 m 2 SG Number 187 Cryst Sys hexagonal Pearson hP2 Wyckoff d a Red Cell P 2.809 2.898 2.898 120 90 90 20.431 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Structure type : WC X-ray diffraction from single crystal \N No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H C 1 +0 1 d 0.3333 0.6667 0.5 1 0 Mo 1 +0 1 a 0 0 0 1 0 *end for ICSD #618300 |
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htt11030226
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3楼2014-04-10 21:14:12
