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zw_tju木虫 (小有名气)
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【求助】Cu3Al的晶体结构
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急求Cu3Al的晶体结构，空间点群，晶格常数和原子占位 [ Last edited by SHY31 on 2008-8-20 at 21:59 ] |
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westlife198207
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有两种不同的SG，都给你贴过来了； *data for ICSD #150823 Coll Code 150823 Rec Date 2006/04/01 Chem Name Copper Aluminium (3/1) - Beta1 Structured Cu3 Al Sum Al1 Cu3 ANX NO3 D(calc) 7.33 Title The transformation process of beta-phase of Cu-Al system and the effect of Mn addition upon it. V. On the relationship among the metastable phases and their crystal structure Author(s) Tarora, I. Reference Journal of the Japan Institut of Metals (see: Nihon Kinzoku Gakkai-Shi) (1949), 13(9), 1-4 Unit Cell 5.82 5.82 5.82 90. 90. 90. Vol 197.14 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF16 Wyckoff c b a Red Cell F 4.115 4.115 4.115 60 60 60 49.284 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments The beta1 phase is obtained by cooling from the beta-phase: body centered cubic, disordered, a=2.93 A from kX The structure has been assigned a PDF number (calculated powder diffraction data): 01-073-2762 Structure type : BiF3/Cu2MnAl 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 Al 1 +0 4 a 0. 0. 0. 1. 0 Cu 1 +0 4 b 0.5 0.5 0.5 1. 0 Cu 2 +0 8 c 0.250 0.250 0.250 1. 0 *end for ICSD #150823 |
2楼2008-08-21 03:35:24
westlife198207
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第二种： *data for ICSD #151216 Coll Code 151216 Rec Date 2006/10/01 Chem Name Aluminium Copper (1/3) - Gamma' Structured Al Cu3 Sum Al1 Cu3 ANX NO3 D(calc) 7.26 Title Transformations in eutectoid alloys of Cu - Al. V. Structure of the martensitic phase gamma' and the mechanism of the beta1 - gamma' transformation Author(s) Kurdjumov, G.;Mireckij, V.;Stelleckaja, T. Reference Zhurnal Tekhnicheskoi Fiziki (1938), 8, 1959-1972 Unit Cell 4.52 5.21 4.23 90. 90. 90. Vol 99.61 Z 2 Space Group P 2 m m SG Number 25 Cryst Sys orthorhombic Pearson oP8 Wyckoff f e d c b a Red Cell P 4.23 4.52 5.21 90 90 90 99.613 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments A from kX Space group in paper Pmaa doesn't fit positioms 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 Al 1 +0 1 a 0. 0. 0. 1. 0 Al 2 +0 1 d 0.333 0.5 0.5 1. 0 Cu 1 +0 1 c 0. 0.5 0. 1. 0 Cu 2 +0 1 b 0.333 0. 0.5 1. 0 Cu 3 +0 2 e 0.5 0.250 0. 1. 0 Cu 4 +0 2 f 0.833 0.250 0.5 1. 0 *end for ICSD #151216 |
3楼2008-08-21 03:35:59
4楼2008-08-21 10:11:40
zw_tju
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