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緋色月下金蟲 (小有名氣)
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[求助]
SrAl2O4和Sr4Al14O25的Cif文檔晶體結(jié)構(gòu)信息
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| Sr4Al14O25 和SrAl2O4 |
版主 (職業(yè)作家)
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*data for ICSD #160296 Coll Code 160296 Rec Date 2008/08/01 Chem Name Strontium Dialuminate Structured Sr (Al2 O4) Sum Al2 O4 Sr1 ANX AB2X4 D(calc) 3.56 Title Transitions between P21, P63(sqrt(3)A) and P6322 modifications of Sr Al2 O4 by in situ high-temperature X-ray and neutron diffraction Author(s) Avdeev, M.;Yakovlev, S.;Yaremchenko, A.A.;Kharton, V.V. Reference Journal of Solid State Chemistry (2007), 180, 3535-3544 Unit Cell 8.44365(9) 8.82245(8) 5.15964(6) 90. 93.411(1) 90. Vol 383.67 Z 4 Space Group P 1 21 1 SG Number 4 Cryst Sys monoclinic Pearson mP28 Wyckoff a14 R Value .0269 Red Cell P 5.159 8.443 8.822 90 90 93.411 383.672 Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000 Comments Neutron diffraction (powder) Rietveld profile refinement applied Temperature in Kelvin: 298 Atom # OX SITE x y z SOF H Sr 1 +2 2 a 0.4946(4) 0. 0.2514(7) 1. 0 Sr 2 +2 2 a 0.0315(5) 0.9922(8) 0.2024(6) 1. 0 Al 1 +3 2 a 0.1914(11) 0.8299(11) 0.7175(15) 1. 0 Al 2 +3 2 a 0.8036(10) 0.8361(11) 0.7349(15) 1. 0 Al 3 +3 2 a 0.7082(10) 0.6680(11) 0.2239(14) 1. 0 Al 4 +3 2 a 0.6787(9) 0.1678(11) 0.8005(16) 1. 0 O 1 -2 2 a 0.2659(6) 0.1688(8) 0.4364(11) 1. 0 O 2 -2 2 a 0.7313(6) 0.3145(8) 0.5873(7) 1. 0 O 3 -2 2 a 0.3262(5) 0.4876(9) 0.3480(8) 1. 0 O 4 -2 2 a 0.2674(5) 0.9826(9) 0.9008(8) 1. 0 O 5 -2 2 a 0.1728(6) 0.2949(7) 0.9348(12) 1. 0 O 6 -2 2 a 0.2046(6) 0.66512(7) 0.9064(9) 1. 0 O 7 -2 2 a 0.4882(6) 0.2135(7) 0.8788(10) 1. 0 O 8 -2 2 a 0.9919(6) 0.8863(7) 0.6514(10) 1. 0 *end for ICSD #160296 ------------------------------------------- *data for ICSD #88527 Coll Code 88527 Rec Date 2001/07/16 Mod Date 2009/02/01 Chem Name Tetrastrontium Tetradecaaluminium Oxide Structured (Sr O)4 (Al2 O3)7 Sum Al14 O25 Sr4 ANX A4B14X25 D(calc) 3.66 Title Synthesis, crystal structure and X-ray powder diffraction data of the phosphor matrix 4(Sr O) * 7(Al2 O3) Author(s) Wang, D.;Wang, M.-Q.;Lu, G.-G. Reference Journal of Materials Science (1999), 34, 4959-4964 Unit Cell 24.74509(20) 8.4735(6) 4.8808(1) 90. 90. 90. Vol 1023.39 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 .044 Red Cell P 4.880 8.473 24.745 90 89.999 89.999 1023.394 Trans Red 0.000 0.000 -1.000 / 0.000 1.000 0.000 / 1.000 0.000 0.000 Comments AE: Sr: O10; Sr2: O7; Al1-3: O4; Al4-6: O6; O1,5,6,8: Sr Al3; O2,3,7,9: Sr2 Al2; O4: Al3 The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-8206 Rietveld profile refinement applied Structure type prototype : Sr4Al14O25 Structure type : Sr4Al14O25 X-ray diffraction (powder) Atom # OX SITE x y z SOF H Sr 1 +2 4 j 0.1379(1) 0.5 0.0346(5) 1. 0 Sr 2 +2 4 i 0.1210(1) 0 0.1154(5) 1. 0 Al 1 +3 8 l 0.1861(2) 0.1936(6) 0.6196(2) 1. 0 Al 2 +3 8 l 0.0661(2) 0.3218(7) 0.5126(1) 1. 0 Al 3 +3 4 k 0.25 0.2950(8) 0.1297(6) 1. 0 Al 4 +3 4 g 0 0.1675(9) 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 0.0424(3) 0.1638(1) 0.3295(3) 1. 0 O 2 -2 8 l 0.1378(3) 0.3173(1) 0.5013(9) 1. 0 O 3 -2 8 l 0.1916(3) 0.2285(1) -.0265(7) 1. 0 O 4 -2 4 k 0.25 0.2286(6) 0.4796(3) 1. 0 O 5 -2 4 i 0.0367(5) 0 0.8287(3) 1. 0 O 6 -2 4 j 0.0512(4) 0.5 0.3548(3) 1. 0 O 7 -2 4 i 0.1639(5) 0 0.5777(8) 1. 0 O 8 -2 8 l 0.0435(3) 0.3348(1) 0.8467(4) 1. 0 O 9 -2 2 f 0.25 0.5 0.1001(4) 1. 0 *end for ICSD #88527 |
金蟲 (小有名氣)
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