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ytianchina8391金蟲 (正式寫手)
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[求助]
求六方相EuF3的cif文件(六方晶系不是正交晶系結(jié)果)
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| 哪位高人有六方相EuF3的cif文件,發(fā)給小弟一下,非常感謝。≌堊⒁馕乙氖橇骄档腅uF3的數(shù)據(jù),不是正交晶系結(jié)果。。 |
木蟲 (著名寫手)
鐵桿木蟲 (職業(yè)作家)
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沒找到EuF3,但是,你可以用相鄰的SmF3的試試 *data for ICSD #16968 Coll Code 16968 Rec Date 1980/01/01 Mod Date 2006/04/01 Chem Name Samarium Fluoride Structured Sm F3 Sum F3 Sm1 ANX AX3 Min Name Fluocerite-(Sm) D(calc) 6.82 Title Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Author(s) Oftedal, I. Reference Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie (1929), 5, 272-292 Golden Book of Phase Transitions, Wroclaw (2002), 1, 1-123 Unit Cell 6.99 6.99 7.16 90. 90. 120. Vol 302.97 Z 6 Space Group P 63 2 2 SG Number 182 Cryst Sys hexagonal Pearson hP24 Wyckoff i g f b Red Cell P 6.99 6.99 7.16 90 90 120 302.969 Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000 Comments Stable above 768 K (2nd ref., Tomaszewski), below Pnma Compound with mineral name: Fluocerite-(Sm) The structure has been assigned a PDF number (calculated powder diffraction data): 01-072-1439 The structure has been assigned a PDF number (experimental powder diffraction data): 12-792 Structure type : LaF3(P6322) 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 Sm 1 +3 6 g 0.3333 0.3333 0 1. 0 F 1 -1 12 i 0.38 0.046 0.16 1. 0 F 2 -1 4 f 0.3333 0.6667 0.0833 1. 0 F 3 -1 2 b 0 0 0.25 1. 0 *end for ICSD #16968 |
木蟲 (著名寫手)
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