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[求助]
急求SrAl2O4和 Sr3MgSi2O8晶體中各原子的內(nèi)坐標(biāo)值(x,y,z),謝謝
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| 新手,剛開始學(xué)習(xí),急求SrAl2O4和 Sr3MgSi2O8晶體中各原子的內(nèi)坐標(biāo)值(x,y,z),謝謝 |
榮譽版主 (著名寫手)
禁蟲 (文壇精英)
小盼妞

木蟲 (小有名氣)
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*data for ICSD #26466 Coll Code 26466 Rec Date 1981/12/31 Mod Date 2000/07/15 Chem Name Strontium Dialuminium Oxide Structured Sr Al2 O4 Sum Al2 O4 Sr1 ANX AB2X4 D(calc) 3.56 Title Zur Struktur von monoklinem Sr Al2 O4 Author(s) Schulze, A.R.;Mueller-Buschbaum, H. Reference Zeitschrift fuer Anorganische und Allgemeine Chemie (1981), 475, 205-210 Unit Cell 8.447 8.816 5.163 90. 93.42 90. Vol 383.8 Z 4 Space Group P 1 21 1 SG Number 4 Cryst Sys monoclinic Pearson mP28 Wyckoff a14 R Value .096 Red Cell P 5.163 8.447 8.816 90 90 93.42 383.797 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments The structure has been assigned a PDF number (calculated powder diffraction data): 01-074-0794 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H Sr 1 +2 2 a 0.4905 0 0.2507 1. 0 Sr 2 +2 2 a 0.0292 0.9929 0.202 1. 0 Al 1 +3 2 a 0.1895 0.8314 0.7158 1. 0 Al 2 +3 2 a 0.7997 0.8394 0.7287 1. 0 Al 3 +3 2 a 0.7087 0.6685 0.2236 1. 0 Al 4 +3 2 a 0.6809 0.1707 0.7975 1. 0 O 1 -2 2 a 0.265 0.174 0.436 1. 0 O 2 -2 2 a 0.736 0.316 0.589 1. 0 O 3 -2 2 a 0.327 0.493 0.345 1. 0 O 4 -2 2 a 0.265 0.984 0.898 1. 0 O 5 -2 2 a 0.174 0.297 0.936 1. 0 O 6 -2 2 a 0.206 0.669 0.906 1. 0 O 7 -2 2 a 0.487 0.219 0.876 1. 0 O 8 -2 2 a 0.99 0.888 0.651 1. 0 *end for ICSD #26466 |
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