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【求助】求一个CIF文件
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文件号：67095 谢谢 另外，150金币求其对应的文献：Butikova, I.K., et al., Kristallografiya, v34, 1136-1140 (1989) （哪位兄弟姐妹有，跟我说一声，我去开个贴……） |
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2楼2010-02-12 20:22:31
xmuamoy
铁杆木虫 (著名写手)
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*data for ICSD #67095 Coll Code 67095 Rec Date 1990/12/27 Mod Date 1999/06/02 Chem Name Silver Tecto-alumosilicate Hydrate * Structured Ag74.24 H17.3 Si100.5 Al91.5 O384 (H2 O)78.72 Sum H174.74 Ag74.24 Al91.5 O462.72 Si100.5 ANX A74B96C96X463 Min Name Zeolite X (Ag-exchanged) D(calc) 2.21 Title Crystal structure of Ag-ion-exchange modification of X-zeolite Author(s) Butikova, I.K.;Shepelev, Yu.F.;Smolin, Yu.I. Reference Kristallografiya (1989), 34, 1136-1140 Soviet Physics, Crystallography (= Kristallografiya) (1989), 34(5), 684-687 Unit Cell 25.020(10) 25.020(10) 25.020(10) 90. 90. 90. Vol 15662.53 Z 1 Space Group F d -3 Z SG Number 203 Cryst Sys cubic Pearson cF904 Wyckoff g11 e3 c R Value .047 Red Cell F 17.691 17.691 17.691 60 60 60 3915.633 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Mean T-O: 1.611, 1.732, sign of y(O2) corrected, H added for charge compensation, exchanged in AgNO3 solution for 3 d Total SOF on at least one site differs from unity (SOF < 0.997 resp. SOF > 1.003) Compound with mineral name: Zeolite X (Ag-exchanged) The structure has been assigned a PDF number (calculated powder diffraction data): 01-079-1884 Structure type : Faujasite-Fd3--frame X-ray diffraction from single crystal Position of 175 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H ITF(B) Si 1 +4 96 g -.0533(1) 0.1247(1) 0.0349(1) 1. 0 0.64 Al 1 +3 96 g -.0539(1) 0.0369(1) 0.1235(1) 0.953 0 0.56 Si 2 +4 96 g -.0539(1) 0.0369(1) 0.1235(1) 0.047 0 0.56 O 1 -2 96 g -.1097(3) 0.0002(3) 0.1047(4) 1. 0 1.92 O 2 -2 96 g -.0027(3) -.0044(3) 0.1443(3) 1. 0 1.15 O 3 -2 96 g -.0325(3) 0.0723(3) 0.0670(3) 1. 0 1.5 O 4 -2 96 g -.0707(3) 0.0786(3) 0.1751(3) 1. 0 1.1 Ag 1 +1 16 c 0 0 0 0.86 0 2.24 Ag 2 +1 32 e 0.0679(1) 0.0679(1) 0.0679(1) 0.62 0 3.72 Ag 3 +1 32 e 0.202(3) 0.202(3) 0.202(3) 0.1 0 7.11 Ag 4 +1 32 e 0.2394(1) 0.2394(1) 0.2394(1) 0.87 0 2.4 Ag 5 +1 96 g 0.727(1) 0.324(1) 0.081(2) 0.05 0 4.15 Ag 6 +1 96 g 0.443(1) 0.013(1) 0.094(1) 0.05 0 3.99 O 5 -2 96 g 0.588(1) 0.321(1) 0.093(2) 0.39 0 5.9 O 6 -2 96 g 0.861(3) 0.310(3) 0.071(3) 0.2 0 4.46 O 7 -2 96 g 0.790(2) 0.139(2) 0.032(2) 0.23 0 4.67 *end for ICSD #67095 |
3楼2010-02-13 11:08:24