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[求助]
求ICSD编号为38294的PbSe详细结构参数！！
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| 求ICSD编号为38294的PbSe详细结构参数！！非常感谢！！买了ICSD数据库的朋友们请帮忙啊 |
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tangosnow
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fzx2008: 金币+1, 谢谢交流！ 2012-11-24 12:37:56
kugou521: 金币+10, ★★★很有帮助 2012-11-25 10:24:58
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fzx2008: 金币+1, 谢谢交流！ 2012-11-24 12:37:56
kugou521: 金币+10, ★★★很有帮助 2012-11-25 10:24:58
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_cell_length_a 6.128(1) _cell_length_b 6.128 _cell_length_c 6.128 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 230.12 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'F m -3 m' _symmetry_Int_Tables_number 225 Pb1 Pb2+ 4 b 0.5 0.5 0.5 1.472(3) 1. 0 Se1 Se2- 4 a 0 0 0 1.130(4) 1. 0 |
2楼2012-11-24 02:23:09
【答案】应助回帖
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感谢参与，应助指数 +1
fzx2008: 金币+1, 谢谢交流！ 2012-11-24 16:11:19
kugou521: 金币+10, ★★★很有帮助 2012-11-25 10:25:07
感谢参与，应助指数 +1
fzx2008: 金币+1, 谢谢交流！ 2012-11-24 16:11:19
kugou521: 金币+10, ★★★很有帮助 2012-11-25 10:25:07
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ICSD 38294 *data for ICSD #38294 CopyRight ?2012 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 38294 Rec Date 1983/12/31 Mod Date 1997/11/10 Chem Name Lead Selenide - Rock Salt Type Structured Pb Se Sum Pb1 Se1 ANX AX Min Name Clausthalite D(calc) 8.26 Title Charge distribution and atomic thermal vibration in lead chalcogenide crystals Author(s) Noda, Y.;Ohba, S.;Sato, S.;Saito, Y. Reference Acta Crystallographica B (39,1983-) (1983), 39, 312-317 Unit Cell 6.128(1) 6.128 6.128 90. 90. 90. Vol 230.12 Z 4 Space Group F m -3 m SG Number 225 Cryst Sys cubic Pearson cF8 Wyckoff b a R Value .011 Red Cell F 4.333 4.333 4.333 59.999 59.999 59.999 57.53 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Compound with mineral name: Clausthalite The structure has been assigned a PDF number (calculated powder diffraction data): 01-077-0245 The structure has been assigned a PDF number (experimental powder diffraction data): 6-354 Temperature factors available Structure type : NaCl X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(B) Pb 1 +2 4 b 0.5 0.5 0.5 1. 0 1.472(3) Se 1 -2 4 a 0 0 0 1. 0 1.130(4) Std. Notes Transformation Method: Tidy Multiple transformations possible, first one selected Std. Cell 6.1280 6.1280 6.1280 90 90 90 230.12 Std. Vol. 230.12 Std. Z 4 Std. SG FM3-M Std. Atom Atom # OX SITE x y z SOF Pb 1 +2 4 b .5 .5 .5 1. Se 1 -2 4 a 0 0 0 1. *end for ICSD #38294 用Find It 查的，希望对你有用 |
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