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[求助]
求Sr4Al14O25：Eu，Dy的cif文件和晶体结构
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| 求Sr4Al14O25：Eu，Dy的cif文件和晶体结构，谢谢各位大神，我只有3个金币全部送出。 |
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bible2
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蒋青松: 金币+1, 鼓励交流 2013-01-29 07:56:47
蒋青松: 金币+1, 鼓励交流 2013-01-29 07:56:47
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*data for ICSD #27744 Coll Code 27744 Rec Date 1980/01/01 Mod Date 2007/04/01 Chem Name Tetrastrontium Tetraaluminium Dioxide Decaaluminate Structured Sr4 Al4 O2 (Al10 O23) Sum Al14 O25 Sr4 ANX A4B14X25 D(calc) 3.64 Title Crystal structure of strontium aluminate Sr4 Al4 O2 (Al10 O23) Author(s) Nadezhina, T.N.;Pobedimskaya, E.A.;Belov, N.V. Reference Kristallografiya (1976), 21(\N), 826-828 Soviet Physics, Crystallography (= Kristallografiya) (1976), 21(\N), 471-472 Unit Cell 24.785(1) 8.487(2) 4.886(1) 90. 90. 90. Vol 1027.77 Z 2 Space Group P m m a SG Number 51 Cryst Sys orthorhombic Pearson oP86 Wyckoff l6 k2 j2 i3 g f c b R Value .07 Red Cell P 4.886 8.487 24.785 90 89.999 89.999 1027.772 Trans Red 0.000 0.000 -1.000 / 0.000 1.000 0.000 / 1.000 0.000 0.000 Comments Cf. 55269 The structure has been assigned a PDF number (calculated powder diffraction data): 01-074-1810 The structure has been assigned a PDF number (experimental powder diffraction data): 89-8206 Structure type : Sr4Al14O25 X-ray diffraction from single crystal At least one temperature factor is implausible or meaningless but agrees with the value given in the paper. Atom # OX SITE x y z SOF H Sr 1 +2 4 j 0.1376(1) 0.5 0.033(1) 1. 0 Sr 2 +2 4 i 0.1208(1) 0 0.113(1) 1. 0 Al 1 +3 8 l 0.1850(3) 0.198(1) 0.633(1) 1. 0 Al 2 +3 8 l 0.0664(3) 0.326(1) 0.510(2) 1. 0 Al 3 +3 4 k 0.25 0.299(1) 0.127(1) 1. 0 Al 4 +3 4 g 0 0.176(1) 0 1. 0 Al 5 +3 2 c 0 0 0.5 1. 0 Al 6 +3 2 b 0 0.5 0 1. 0 O 1 -2 8 l 0.0422(6) 0.157(2) 0.328(4) 1. 0 O 2 -2 8 l 0.1368(6) 0.329(2) 0.502(4) 1. 0 O 3 -2 8 l 0.1908(6) 0.229(2) -.018(3) 1. 0 O 4 -2 4 k 0.25 0.236(3) 0.473(5) 1. 0 O 5 -2 4 i 0.0391(9) 0 0.823(5) 1. 0 O 6 -2 4 j 0.0507(9) 0.5 0.323(5) 1. 0 O 7 -2 4 i 0.1651(9) 0 0.574(5) 1. 0 O 8 -2 8 l 0.0444(6) 0.344(2) 0.842(4) 1. 0 O 9 -2 2 f 0.25 0.5 0.097(8) 1. 0 *end for ICSD #27744 |
2楼2013-01-28 23:05:26