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Sm2Co17的CIF文件已有1人参与
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谁有Sm2Co17的CIF文件啊？我在COD和ICSD上都没找到，是我找的方法不对吗？求大神帮忙找找，谢谢! 邮箱649589651@qq.com 发自小木虫Android客户端 |
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sharkv8088
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2楼2018-02-02 12:45:17
sharkv8088
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*data for ICSD #420006 Coll Code 420006 Rec Date 2010/02/01 Chem Name Cobalt Samarium (17/2) - Nanocrystalline Structured Co17 Sm2 Sum Co17 Sm2 ANX N2O17 D(calc) 8.4 Title Phase transformation in nanocrystalline Sm2 Co17 permanent magnet material Author(s) Song Xiaoyan;Lu Nianduan;Seyring, M.;Xu Wenwu;Zhang Zhexu;Rettenmayer, M.;Zhang Jiuxing Reference Journal of Applied Crystallography (2009), 42(4), 691-696 Unit Cell 8.6551(3) 8.6551(3) 7.9383(7) 90. 90. 120. Vol 514.99 Z 2 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP38 Wyckoff k j g f d b R Value .042 Red Cell P 7.938 8.655 8.655 120 90 90 514.994 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Temperature in Kelvin: 300 Temperature factors available Structure type : Ni17Th2 X-ray diffraction (powder) Unusual difference between calculated and measured density Atom # OX SITE x y z SOF H ITF(B) Sm 1 +0 2 b 0. 0. 0.25 1. 0 0.88(5) Sm 2 +0 2 d 0.3333 0.6667 0.75 1. 0 0.88(5) Co 1 +0 4 f 0.3333 0.6667 0.110 1. 0 0.88(5) Co 2 +0 6 g 0.5 0. 0. 1. 0 0.88(5) Co 3 +0 12 j 0.3333 0. 0.25 1. 0 0.88(5) Co 4 +0 12 k 0.167 0.3333 0. 1. 0 0.88(5) Std. Notes Transformation Method: Tidy TRANS Origin 0 0 1/2 Std. Cell 8.6551 8.6551 7.9383 90 90 120 Std. Vol. 514.99 Std. Z 2 Std. SG P63/MMC Std. Atom Atom # OX SITE x y z SOF Sm 1 +0 2 b 0 0 .25 1. Sm 2 +0 2 c .33333 .66667 .25 1. Co 1 +0 4 f .33333 .66667 .61000 1. Co 2 +0 6 g .5 0 0 1. Co 3 +0 12 j .00000 .33330 .25 1. Co 4 +0 24 l .16630 .33330 .00000 1. *end for ICSD #420006 |
3楼2018-02-02 12:49:00
sharkv8088
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*data for ICSD #625173 Coll Code 625173 Rec Date 2010/02/01 Chem Name Cobalt Samarium (17/2) Structured Co17 Sm2 Sum Co17 Sm2 ANX N2O17 D(calc) 8.71 Title Structures cristalline des composes intermetallique Te2 Co17 dans lesquels T est un metal des terres rares ou l''yttrium Author(s) Bouchet, G.;Laforest, J.;Lemaire, R.;Schweizer, J. Reference Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B (1966), 262, 1227-1230 Journal of the Less-Common Metals (1966), 11(3), 204-208 Unit Cell 8.384 8.384 8.159 90.0 90.0 120.0 Vol 496.67 Z 2 Space Group P 63/m m c SG Number 194 Cryst Sys hexagonal Pearson hP38 Wyckoff k j g f d b Red Cell P 8.159 8.384 8.384 120 90 90 496.672 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Atom positions not refined Cell from 2nd ref. (Buschow): 8.360, 8.151 Cell and Type only determined by the author(s). Coordinates estimated by the editor in analogy to isotypic compounds. Metals Sdata Record: INT= count; RAD= Co; APP= diffractometer Metals structure type Ni17 Th2 Standard deviation missing in cell constants Structure type : Ni17Th2 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 4 f 0.3333 0.6667 0.110 1. 0 Co 2 +0 6 g 0.5 0 0 1. 0 Co 3 +0 12 j 0.333 -.03 0.25 1. 0 Co 4 +0 12 k 0.167 0.334 0 1. 0 Sm 1 +0 2 b 0 0 0.25 1. 0 Sm 2 +0 2 d 0.3333 0.6667 0.75 1. 0 Std. Notes Transformation Method: Tidy TRANS Origin 0 0 1/2 Std. Cell 8.3840 8.3840 8.1590 90 90 120 Std. Vol. 496.67 Std. Z 2 Std. SG P63/MMC Std. Atom Atom # OX SITE x y z SOF Co 1 +0 4 f .33333 .66667 .61000 1. Co 2 +0 6 g .5 0 0 1. Co 3 +0 12 j .36300 .03000 .25 1. Co 4 +0 12 k .16700 .33400 .00000 1. Sm 1 +0 2 b 0 0 .25 1. Sm 2 +0 2 c .33333 .66667 .25 1. *end for ICSD #625173 |
4楼2018-02-02 12:49:57
sharkv8088
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*data for ICSD #420005 Coll Code 420005 Rec Date 2010/02/01 Chem Name Cobalt Samarium (17/2) Structured Co17 Sm2 Sum Co17 Sm2 ANX N2O17 D(calc) 8.75 Title Phase transformation in nanocrystalline Sm2 Co17 permanent magnet material Author(s) Song Xiaoyan;Lu Nianduan;Seyring, M.;Xu Wenwu;Zhang Zhexu;Rettenmayer, M.;Zhang Jiuxing Reference Journal of Applied Crystallography (2009), 42(4), 691-696 Unit Cell 8.3657(2) 8.3657(2) 12.2336(5) 90. 90. 120. Vol 741.46 Z 3 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR19 Wyckoff h f d c2 R Value .0455 Red Cell RH 6.321 6.321 6.321 82.862 82.862 82.862 247.154 Trans Red 0.333 -0.333 -0.333 / -0.667 -0.333 -0.333 / 0.333 0.667 -0.333 Comments Temperature in Kelvin: 300 Temperature factors available Structure type : Th2Zn17 X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(B) Sm 1 +0 6 c 0. 0. 0.3333 1. 0 0.85(2) Co 1 +0 6 c 0. 0. 0.097 1. 0 0.85(2) Co 2 +0 9 d 0.5 0. 0.5 1. 0 0.85(2) Co 3 +0 18 f 0.333 0. 0. 1. 0 0.85(2) Co 4 +0 18 h 0.5 0.5 0.167 1. 0 0.85(2) Std. Notes Transformation Method: Tidy Std. Cell 8.3657 8.3657 12.2336 90 90 120 Std. Vol. 741.46 Std. Z 3 Std. SG R3-MH Std. Atom Atom # OX SITE x y z SOF Sm 1 +0 6 c 0 0 .33330 1. Co 1 +0 6 c 0 0 .09700 1. Co 2 +0 9 d .5 0 .5 1. Co 3 +0 18 f .33300 0 0 1. Co 4 +0 18 h .50000 .50000 .16700 1. *end for ICSD #420005 |
5楼2018-02-02 12:50:50
sharkv8088
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刀刀无名6楼2018-02-02 12:52:20
7楼2018-02-02 22:38:58
sharkv8088
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8楼2018-02-03 05:00:23