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求助单晶锗的原子结构
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| 求单晶锗的晶胞结构图，有5币赠送！ |
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3楼2008-03-17 11:16:25
xiexie99
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1 *data for ICSD #16570 Coll Code 16570 Rec Date 1980/01/01 Mod Date 2003/10/01 Chem Name Germanium Structured Ge Sum Ge1 ANX N D(calc) 5.89 Title The crystal structures of new forms of silicon and germanium Author(s) Kasper, J.S.;Richards, S.M. Reference Acta Crystallographica (1,1948-23,1967) (1964), 17, 752-755 Unit Cell 5.93(1) 5.93(1) 6.98(1) 90. 90. 90. Vol 245.45 Z 12 Space Group P 43 21 2 SG Number 96 Cryst Sys tetragonal Pearson tP12 Wyckoff b a R Value 0.187 Red Cell P 5.93 5.93 6.98 90 90 90 245.451 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Obtained from HP-experiments PDF 18-549, 72-1089 The structure has been assigned a PDF number: 18-549 X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(B) Ge 1 +0 4 a 0.0912(60) 0.0912(60) 0 1. 0 4.51 Ge 2 +0 8 b 0.1730(37) 0.3784(51) 0.2486(48) 1. 0 1.15 *end for ICSD #16570 2 *data for ICSD #43422 Coll Code 43422 Rec Date 2000/07/15 Mod Date 2003/10/01 Chem Name Germanium Structured Ge Sum Ge1 ANX N D(calc) 5.33 Title Precise lattice constsants of germanium, aluminum, gallium arsenide, uranium, sulphur, quartz and sapphire Author(s) Cooper, A.S. Reference Acta Crystallographica (1,1948-23,1967) (1962), 15, 578-582 Journal of Applied Physics (1983), 54, 3609-3611 Unit Cell 5.65675(1) 5.65675 5.65675 90. 90. 90. Vol 181.01 Z 8 Space Group F d -3 m S SG Number 227 Cryst Sys cubic Pearson cF8 Wyckoff a Red Cell F 3.999 3.999 3.999 60 60 60 45.254 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Cell from 2nd ref. (Qadri et al.): 5.6512, stable below 10.5 GPa Type: C (cF8) The structure has been assigned a PDF number: 4-545 No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ge 1 +0 8 a 0 0 0 1. 0 *end for ICSD #43422 3. *data for ICSD #94306 Coll Code 94306 Rec Date 2003/10/01 Chem Name Germanium - Hp Structured Ge Sum Ge1 ANX N D(calc) 11.25 Title High pressure structures of Ge above 100 GPa Author(s) Takemura, K.;Schwarz, U.;Syassen, K.;Christensen, N.E.;Hanfland, M.; Novikov, D.L.;Loa, I. Reference Physica Status Solidi, Sectio B: Basic Research (2001), 223, 385-390 Unit Cell 7.886 4.656 4.667(1) 90 90 90 Vol 171.36 Z 16 Space Group C m c a SG Number 64 Cryst Sys orthorhombic Pearson oS16 Wyckoff f d Red Cell C 4.578 4.578 4.667 89.999 89.999 118.883 85.68 Trans Red -0.500 0.500 0.000 / 0.500 0.500 0.000 / 0.000 0.000 -1.000 Comments Pressure in MPa: 135000 Structure calculated theoretically No R value given in the paper. At least one temperature factor missing in the paper. Atom # OX SITE x y z SOF H Ge 1 +0 8 d 0.2210 0. 0. 1. 0 Ge 2 +0 8 f 0. 0.1721 0.3138 1. 0 *end for ICSD #94306 |
2楼2008-03-14 15:24:28