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yifanxiaoyu金虫 (小有名气)
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[求助]
求助NiA和l Ni3Al空间群，晶格参数，晶体内坐标，请赐教，感激不尽！！！比较急！！！ 已有1人参与
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| NiA和l Ni3Al空间群，晶格参数，晶体内坐标，请赐教，感激不尽！！！比较急！！！ |
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感谢参与，应助指数 +1
yifanxiaoyu: 金币+10, ★★★很有帮助 2014-03-19 09:18:32
感谢参与，应助指数 +1
yifanxiaoyu: 金币+10, ★★★很有帮助 2014-03-19 09:18:32
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*data for ICSD #58037 Coll Code 58037 Rec Date 2003/10/01 Chem Name Aluminium Nickel (1/1) Structured Al Ni Sum Al1 Ni1 ANX NO D(calc) 5.94 Title High-temperature X-ray diffraction study of the lattice dynamics of the compounds Al Co and Al Ni Author(s) Dutchak, Ya.I.;Chekh, V.G. Reference Zhurnal Fizicheskoi Khimii (1981), 55(9), 2342-2345 Doklady Akademii Nauk Tadzhikskoi SSR (1987), 30(3), 169-172 Unit Cell 2.882 2.882 2.882 90. 90. 90. Vol 23.94 Z 1 Space Group P m -3 m SG Number 221 Cryst Sys cubic Pearson cP2 Wyckoff b a Red Cell P 2.882 2.882 2.882 90 90 90 23.938 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Cell at 400 K: 2.891, at 700 K: 2.899, at 1000 K: 2.991 Cell from 2nd ref. (Ainutdinov et al.): 2.88 The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-5882 The structure has been assigned a PDF number (experimental powder diffraction data): 20-19 Structure type : CsCl 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 Al 1 +0 1 a 0 0 0 1. 0 Ni 1 +0 1 b 0.5 0.5 0.5 1. 0 *end for ICSD #58037 *data for ICSD #58038 Coll Code 58038 Rec Date 2003/10/01 Chem Name Aluminium Nickel (1/3) Structured Al Ni3 Sum Al1 Ni3 ANX NO3 D(calc) 7.4 Title The high-temperature thermal expansion of Ni3 Al measured by X-ray diffraction and dilation methods Author(s) Mohan Rao, P.V.;Suryanarayana, S.V.;Satyanarayana Murthy, K.;Nagender Naidy, S.V. Reference Journal of Physics: Condensed Matter (1989), 1, 5357-5361 Unit Cell 3.5718(2) 3.5718 3.5718 90. 90. 90. Vol 45.57 Z 1 Space Group P m -3 m SG Number 221 Cryst Sys cubic Pearson cP4 Wyckoff c a Red Cell P 3.571 3.571 3.571 90 90 90 45.568 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Cell at 471 K: 3.5805, at 767 K: 3.5974, at 867 K: 3.6035 The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-5883 The structure has been assigned a PDF number (experimental powder diffraction data): 9-97 Temperature in Kelvin: 298 Structure type : AuCu3 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 Al 1 +0 1 a 0 0 0 1. 0 Ni 1 +0 3 c 0 0.5 0.5 1. 0 *end for ICSD #58038 |
2楼2014-03-14 15:00:00
yifanxiaoyu
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3楼2014-03-19 09:18:55
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