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baizhufang银虫 (小有名气)
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[求助]
求cif文件3个，从哪儿下，怎么下？感激不尽！！！十万火急！！！ 已有1人参与
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PDF卡号分别为22-0340（Iron Hydrogen Arsenate:FeHAsO4)、81-0464（Goethite：FeO(OH))、21-0909（FeAsO4)，急急急，十万火急！！！ [ Last edited by linhua0402313 on 2015-10-22 at 08:30 ] |
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求助几个团簇的cif
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【答案】应助回帖
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只查到中间那个编号的，另外两个没有搜到 *data for ICSD #71810 Coll Code 71810 Rec Date 1993/08/22 Mod Date 2005/10/01 Chem Name Iron(III) Oxide Hydroxide Structured Fe O (O H) Sum H1 Fe1 O2 ANX AX2 Min Name Goethite D(calc) 4.26 Title Rietveld studies of the aluminium-iron substitution in synthetic goethite Author(s) Hazemann, J.L.;Berar, J.F.;Manceau, A. Reference Materials Science Forum (1991), 79, 821-826 Physics and Chemistry of Minerals (Germany) (1992), 19, 25-38 Unit Cell 4.6048(1) 9.9595 3.023 90. 90. 90. Vol 138.64 Z 4 Space Group P b n m SG Number 62 Cryst Sys orthorhombic Pearson oP16 Wyckoff c3 R Value .06 Red Cell P 3.023 4.604 9.959 90 90 90 138.639 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Incorporates up to 33 at% Al Compound with mineral name: Goethite The structure has been assigned a PDF number (calculated powder diffraction data): 01-081-0464 The structure has been assigned a PDF number (experimental powder diffraction data): 29-713 Rietveld profile refinement applied Structure type : AlOOH(Diaspore) X-ray diffraction (powder) Unusual difference between calculated and measured density At least one temperature factor missing in the paper. Position of 4 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H Fe 1 +3 4 c 0.0477 0.8539 0.25 1. 0 O 1 -2 4 c 0.708 0.1996 0.25 1. 0 O 2 -2 4 c 0.204 0.0531 0.25 1. H1 *end for ICSD #71810 |
2楼2015-11-06 17:02:59
baizhufang
银虫 (小有名气)
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3楼2015-11-06 17:11:21
baizhufang
银虫 (小有名气)
- 应助: 2 (幼儿园)
- 金币: 491.4
- 帖子: 113
- 在线: 39.3小时
- 虫号: 3024367
- 注册: 2014-03-06
- 专业: 矿物学(含矿物物理学）
4楼2015-11-06 17:11:49
5楼2015-11-07 11:24:15
【答案】应助回帖
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baizhufang: 金币+20, ★★★很有帮助 2015-11-16 14:07:44
baizhufang: 金币+20, ★★★很有帮助 2015-11-16 14:07:44
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6楼2015-11-07 21:55:03