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longmei_cn木虫 (正式写手)
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[交流]
【求助】10金币求 Co2B Fe2B AlP的晶体结构参数！
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急需Co2B Fe2B AlP三种物质的晶体结构参数（原子坐标 空间群 及占位数等），请朋友们帮忙提供下。以前用下面这个网站可以查找，现在总提示无法连接数据库了不知什么情况。 http://www.icsd.iqfr.csic.es/ 希望大家有用过的交流下。 10金币，聊表心意，谢谢！ |
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★ ★ ★ ★
longmei_cn(金币+3,VIP+0):谢谢朋友！ 5-18 08:09
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:21
longmei_cn(金币+3,VIP+0):谢谢朋友！ 5-18 08:09
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:21
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*data for ICSD #30446 Coll Code 30446 Rec Date 1980/01/01 Mod Date 2002/04/01 Chem Name Iron Boride (2/1) Structured Fe2 B Sum B1 Fe2 ANX NO2 D(calc) 7.38 Title Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor Author(s) Bjurstroem, T. Reference Arkiv foer Kemi, Mineralogi och Geologi, A (1933), 11, 1-12 Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie (1930), 11, 152-162 Unit Cell 5.099 5.099 4.24 90. 90. 90. Vol 110.24 Z 4 Space Group I -4 2 m SG Number 121 Cryst Sys tetragonal Pearson tI12 Wyckoff i c Red Cell I 4.182 4.182 4.182 104.886 104.886 119.090 55.12 Trans Red -0.500 0.500 0.500 / 0.500 -0.500 0.500 / 0.500 0.500 -0.500 Comments PDF 36-1332, 39-1314 (with doubled c) Cell of Ni2 B: 4.983, 4.240 The structure has been assigned a PDF number: 36-1332 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 Fe 1 +0 8 i 0.167 0.167 0.25 1. 0 B 1 +0 4 c 0.5 0 0 1. 0 *end for ICSD #30446 |
3楼2009-05-17 23:21:14
★ ★ ★ ★
longmei_cn(金币+3,VIP+0):非常感谢！ 5-18 08:09
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:20
longmei_cn(金币+3,VIP+0):非常感谢！ 5-18 08:09
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:20
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*data for ICSD #30447 Coll Code 30447 Rec Date 1980/01/01 Chem Name Cobalt Boride (2/1) Structured Co2 B Sum B1 Co2 ANX NO2 D(calc) 8.09 Title Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor Author(s) Bjurstroem, T. Reference Arkiv foer Kemi, Mineralogi och Geologi, A (1933), 11, 1-12 Unit Cell 5.006 5.006 4.212 90. 90. 90. Vol 105.55 Z 4 Space Group I -4 2 m SG Number 121 Cryst Sys tetragonal Pearson tI12 Wyckoff i c Red Cell I 4.118 4.118 4.118 105.154 105.154 118.498 52.776 Trans Red -0.500 0.500 0.500 / 0.500 -0.500 0.500 / 0.500 0.500 -0.500 Comments 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 Co 1 +0 8 i 0.167 0.167 0.25 1. 0 |
2楼2009-05-17 23:20:31
★ ★ ★ ★ ★
longmei_cn(金币+4,VIP+0):多谢！^_^请问大哥这些数据怎么查到，能给个网站吗^_^ 5-18 08:11
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:21
longmei_cn(金币+4,VIP+0):多谢！^_^请问大哥这些数据怎么查到，能给个网站吗^_^ 5-18 08:11
zxzj05(金币+1,VIP+0):鼓励讨论！^_^ 5-19 18:21
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*data for ICSD #24490 Coll Code 24490 Rec Date 1980/01/01 Mod Date 2000/07/15 Chem Name Aluminium Phosphide Structured Al P Sum Al1 P1 ANX AX D(calc) 2.42 Title Struttura cristallina di alcuni fosfuri di metalli bivalenti e trivalenti Author(s) Passerini, L. Reference Gazzetta Chimica Italiana (1928), 58, 655-664 Journal of the Electrochemical Society (1960), 107, 308-314 Unit Cell 5.42 5.42 5.42 90. 90. 90. Vol 159.22 Z 4 Space Group F -4 3 m SG Number 216 Cryst Sys cubic Pearson cF8 Wyckoff c a Red Cell F 3.832 3.832 3.832 60 60 60 39.805 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Cell of 2nd reference: 5.451(4) The structure has been assigned a PDF number: 12-470 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 +3 4 a 0 0 0 1. 0 P 1 -3 4 c 0.25 0.25 0.25 1. 0 *end for ICSD #24490 |
4楼2009-05-17 23:21:53
5楼2009-05-18 09:25:19
