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Trevor1983鐵桿木蟲 (正式寫手)
探險家
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[求助]
求I2(碘單質(zhì))的CIF文件
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| 哪位蟲友有碘單質(zhì)的晶體CIF和相關(guān)描述,我從文獻中找不到啊,大蝦們請幫我下載一下,似乎是從ICSD上下載了吧 |
至尊木蟲 (知名作家)
版主 (職業(yè)作家)
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*data for ICSD #10084 Coll Code 10084 Rec Date 1980/01/01 Mod Date 2007/04/01 Chem Name Diiodine Structured I2 Sum I2 ANX N D(calc) 8.15 Title Structure analysis of high pressure metallic state of iodine Author(s) Shimomura, O.;Takemura, K.;Fujii, Y.;Minomura, S. Reference Physical Review, Serie 3. B - Condensed Matter (18,1978-) (1978), 18, 715-719 Zeitschrift fuer Kristallographie (149,1979-) (2004), 219, 749-754 Unit Cell 5.779(8) 3.943(14) 9.076(10) 90. 90. 90. Vol 206.81 Z 4 Space Group C m c a SG Number 64 Cryst Sys orthorhombic Pearson oS8 Wyckoff f Red Cell C 3.498 3.498 9.076 89.999 89.999 111.388 103.406 Trans Red -0.500 0.500 0.000 / 0.500 0.500 0.000 / 0.000 0.000 -1.000 Comments After 2nd ref. (Takemura et al.) this normal pressure phase is stable up to 24 GPa. From 24 to 29 GPa iodine is stable as modulated structure in Fmmm The structure has been assigned a PDF number (calculated powder diffraction data): 01-071-1370 Pressure in MPa: 20600 X-ray diffraction from single crystal No R value given in the paper. Atom # OX SITE x y z SOF H I 1 +0 8 f 0 0.194(4) 0.128(3) 1. 0 *end for ICSD #10084 |
至尊木蟲 (知名作家)
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