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ylbt1989木虫 (著名写手)
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[求助]
求助Ni2P JCPDS no.89-4864的cif文件 已有1人参与
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| 谁有能不能给我发一下啊 谢谢 |
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ylbt1989: 金币+20, ★★★★★最佳答案, 非常感谢！！ 2016-07-11 17:36:44
ylbt1989: 金币+20, ★★★★★最佳答案, 非常感谢！！ 2016-07-11 17:36:44
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链接: http://pan.baidu.com/s/1pKNuJRP 密码: cbma *data for ICSD #27162 Coll Code 27162 Rec Date 1980/01/01 Chem Name Dinickel Phosphide * Structured Ni2 P Sum Ni2 P1 ANX NO2 D(calc) 7.35 Title An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2 Author(s) Larsson, E. Reference Arkiv foer Kemi (1965), 23, 335-365 Unit Cell 5.859(2) 5.859(2) 3.382(1) 90. 90. 120. Vol 100.54 Z 3 Space Group P -6 2 m SG Number 189 Cryst Sys hexagonal Pearson hP9 Wyckoff g f c b Red Cell P 3.382 5.859 5.859 120 90 90 100.543 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-074-1385 Temperature factors available Structure type : Fe2P X-ray diffraction from single crystal No R value given in the paper. Atom # OX SITE x y z SOF H ITF(B) Ni 1 +0 3 f 0.2575(4) 0 0 1. 0 0.32 Ni 2 +0 3 g 0.5957(5) 0 0.5 1. 0 0.69 P 1 +0 2 c 0.3333 0.6667 0 1. 0 0.42 P 2 +0 1 b 0 0 0.5 1. 0 0.42 Std. Notes Transformation Method: Tidy TRANS Origin 0 0 1/2 Std. Cell 5.8590 5.8590 3.3820 90 90 120 Std. Vol. 100.54 Std. Z 3 Std. SG P6-2M Std. Atom Atom # OX SITE x y z SOF Ni 1 +0 3 g .25750 0 .5 1. Ni 2 +0 3 f .59570 0 0 1. P 1 +0 2 d .33333 .66667 .5 1. P 2 +0 1 a 0 0 0 1. *end for ICSD #27162 链接: http://pan.baidu.com/s/1hs58ugc 密码: x1g2 *data for ICSD #43395 Coll Code 43395 Rec Date 2000/07/15 Mod Date 2008/02/01 Chem Name Nickel Phosphide (2/1) Structured Ni2 P Sum Ni2 P1 ANX NO2 D(calc) 7.35 Title X-ray investigations of Mn3 P, Mn2 P und Ni2 P Author(s) Rundqvist, S. Reference Acta Chemica Scandinavica (1-27,1973-42,1988) (1962), 16, 992-998 Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie (1938), 40, 281-284 Journal of Solid State Chemistry (1975), 13, 258-271 Unit Cell 5.859 5.859 3.382 90. 90. 120. Vol 100.54 Z 3 Space Group P -6 2 m SG Number 189 Cryst Sys hexagonal Pearson hP9 Wyckoff g f c b R Value .063 Red Cell P 3.382 5.859 5.859 120 90 90 100.543 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments R(hk0)=0.063, cf. 27162 Cell from 2nd reference: 5.850, 3.365 The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-2742 The structure has been assigned a PDF number (experimental powder diffraction data): 3-953 Standard deviation missing in cell constants Temperature factors available Structure type : Fe2P X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(B) Ni 1 +0 3 f 0.2575(4) 0 0 1. 0 0.32 Ni 2 +0 3 g 0.5957(5) 0 0.5 1. 0 0.69 P 1 +0 2 c 0.3333 0.6667 0 1. 0 0.42 P 2 +0 1 b 0 0 0.5 1. 0 0.42 Std. Notes Transformation Method: Tidy TRANS Origin 0 0 1/2 Std. Cell 5.8590 5.8590 3.3820 90 90 120 Std. Vol. 100.54 Std. Z 3 Std. SG P6-2M Std. Atom Atom # OX SITE x y z SOF Ni 1 +0 3 g .25750 0 .5 1. Ni 2 +0 3 f .59570 0 0 1. P 1 +0 2 d .33333 .66667 .5 1. P 2 +0 1 a 0 0 0 1. *end for ICSD #43395 |
2楼2016-07-10 08:56:29