| 查看: 617 | 回复: 0 | ||
[求助]
求Muscovite-1M KAl2Si3AlO10 ( OH )2 的cif文件
|
|
*data for ICSD #4367 Coll Code 4367 Rec Date 1986/08/08 Mod Date 2006/10/01 Chem Name Potassium Aluminium Magnesium phyllo-alumosilicate Hydroxide * Structured K Al (Mg0.2 Al0.8) (Al.42 Si3.58) O10 (O H)2 Sum H2 Al2.22 K1 Mg0.2 O12 Si3.58 ANX AB2C4X12 Min Name Muscovite 1M, magnesian D(calc) 2.88 Title Crystal structure refinement for 1M dioctahedral mica Author(s) Sidorenko, O.V.;Zvyagin, B.B.;Soboleva, S.V. Reference Kristallografiya (1975), 20(\N), 543-549 Soviet Physics, Crystallography (= Kristallografiya) (1975), 20(\N), 332-335 Unit Cell 5.186 8.952 10.12 90. 101.83 90. Vol 459.84 Z 2 Space Group C 1 2 1 SG Number 5 Cryst Sys monoclinic Pearson mS42 Wyckoff c8 b a2 R Value .109 Red Cell C 5.172 5.172 10.12 95.898 95.898 119.831 229.921 Trans Red 0.500 -0.500 0.000 / 0.500 0.500 0.000 / 0.000 0.000 1.000 Comments Mean T-O: 1.614, 1.634 Electron diffraction (single crystal) Compound with mineral name: Muscovite 1M, magnesian The structure has been assigned a PDF number (calculated powder diffraction data): 01-070-1868 The structure has been assigned a PDF number (experimental powder diffraction data): 21-993 Deviation of the charge sum from zero tolerable. Unusual difference between calculated and measured density At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. Position of 4 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H ITF(B) Al 1 +3 2 a 0 0.6756(11) 0 1. 0 0.62 Al 2 +3 2 a 0 0.3378(11) 0 0.8 0 0.67 Mg 1 +2 2 a 0 0.3378(11) 0 0.2 0 0.67 Al 3 +3 4 c 0.4188(18) 0.6719(11) 0.2697(9) 0.04 0 0.12 Si 1 +4 4 c 0.4188(18) 0.6719(11) 0.2697(9) 0.96 0 0.12 Al 4 +3 4 c 0.4207(18) 0.3290(11) 0.2690(9) 0.17 0 0.17 Si 2 +4 4 c 0.4207(18) 0.3290(11) 0.2690(9) 0.83 0 0.17 K 1 +1 2 b 0.5 0.0008(8) 0.5 1. 0 0.26 O 1 -2 4 c 0.4061(30) 0.0141(17) 0.1048(15) 1. H1 0.35 O 2 -2 4 c 0.3476(30) 0.6969(17) 0.1070(15) 1. 0 0.37 O 3 -2 4 c 0.3485(30) 0.3156(17) 0.1082(15) 1. 0 0.29 O 4 -2 4 c 0.4841(30) 0.5003(17) 0.3161(15) 1. 0 0.38 O 5 -2 4 c 0.180(3) 0.7302(17) 0.3308(15) 1. 0 0.68 O 6 -2 4 c 0.1634(30) 0.2784(17) 0.3383(15) 1. 0 0.32 *end for ICSD #4367 |
回复此楼» 猜你喜欢
MOF合成
已经有0人回复
-
请问各位大佬ACS投稿状态这样是成功了吗？
已经有6人回复
-
无机化学论文润色/翻译怎么收费?
已经有210人回复
