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[求助]
跪求Gd2O3的立方相的cif文件
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| 跪求Gd2O3的立方相的cif文件。群空间是Ia-3 |
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3楼2014-06-19 12:21:38
【答案】应助回帖
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★ ★
感谢参与，应助指数 +1
kangyipu: 金币+2, ★★★很有帮助, 有cif文件最好了 2014-06-17 12:57:06
感谢参与，应助指数 +1
kangyipu: 金币+2, ★★★很有帮助, 有cif文件最好了 2014-06-17 12:57:06
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data for ICSD #40473 Coll Code 40473 Rec Date 1999/06/02 Mod Date 2005/10/01 Chem Name Gadolinium Oxide Structured Gd2 O3 Sum Gd2 O3 ANX A2X3 D(calc) 7.62 Title Structural change of C-type rare earth oxides, ytterbium oxide and erbium oxide at high temperatures Author(s) Saiki, A.;Ishizawa, N.;Mizutani, N.;Kato, M. Reference Yogyo Kyokai Shi (= Journal of the Ceramic Assoc. of Japan) (1985), 93, 649-654 Journal of the Ceramic Society of Japan (1985), 93, 649-654 Acta Crystallographica B (39,1983-) (1984), 40, 76-82 Phase Transition (1992), 38, 127-220 Unit Cell 10.809(9) 10.809 10.809 90. 90. 90. Vol 1262.86 Z 16 Space Group I a -3 SG Number 206 Cryst Sys cubic Pearson cI80 Wyckoff e d b R Value .042 Red Cell I 9.360 9.360 9.360 109.471 109.471 109.471 631.432 Trans Red 0.500 0.500 -0.500 / -0.500 0.500 0.500 / 0.500 -0.500 0.500 Comments Cell constant from 3rd reference Calculated from ion size (3rd reference): a=10.814, x(Gd2)=- .0286, xyz(O1)=.3841, .1463, .3806, D=7.614 Bixbyite-type, for description in I213 cf. 33652 Stable up to 1573 K (4th ref., Tomaszewski), from 1573 to 2443 K: C2/m, from 2443 to 2473 K: P3-m1, from 2473 to 2633: hexagonal, above cubic, m.p. 2670 K The structure has been assigned a PDF number (calculated powder diffraction data): 01-086-2477 The structure has been assigned a PDF number (experimental powder diffraction data): 43-1014 Structure type : Mn2O3 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(B) Gd 1 +3 8 b 0.25 0.25 0.25 1. 0 0.25 Gd 2 +3 24 d -.03243 0 0.25 1. 0 0.21 O 1 -2 48 e 0.391 0.1518 0.3755 1. 0 0.5 *end for ICSD #40473 |
2楼2014-06-16 19:32:27