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*data for ICSD #249140 CopyRight ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of Commerce on behalf of the United States. All rights reserved. Coll Code 249140 Rec Date 2008/02/01 Chem Name Aluminium Oxide (2.67/4) Structured Al2.67 O4 Sum Al2.67 O4 ANX A21X32 D(calc) 3.61 Title gamma-Alumina: a single-crystal X-ray diffraction study Author(s) Smrcok, L.;Langer, V.;Krestan, J. Reference Acta Crystallographica C (39,1983-) (2006), 62(9), i83-i84 Unit Cell 7.93820(10) 7.93820(10) 7.93820(10) 90. 90. 90. Vol 500.23 Z 8 Space Group F d -3 m Z SG Number 227 Cryst Sys cubic Pearson cF53 Wyckoff f e d c a R Value .027 Red Cell F 5.613 5.613 5.613 60 60 60 125.056 Trans Red 0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500 Comments Temperature in Kelvin: 173 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H Al 1 +3 8 a 0.1250 0.1250 0.1250 0.8633(5) 0 Al 2 +3 16 d 0.5000 0.5000 0.5000 0.816(5) 0 O 1 -2 32 e 0.25673(10) 0.25673(10) 0.25673(10) 1 0 Al 3 +3 16 c 0.0000 0.0000 0.0000 0.028(5) 0 Al 4 +3 48 f -0.123(3) 0.1250 0.1250 0.019(2) 0 Lbl Type U11 U22 U33 U12 U13 U23 Al1 Al3+ 0.0062(3) 0.0062(3) 0.0062(3) 0.000 0.000 0.000 Al2 Al3+ 0.0092(3) 0.0092(3) 0.0092(3) -0.00008(12)-0.00008(12)-0.00008(12) O1 O2- 0.0111(3) 0.0111(3) 0.0111(3) 0.00055(16) 0.00055(16) 0.00055(16) Al3 Al3+ 0.009(6) 0.009(6) 0.009(6) 0.001(3) 0.001(3) 0.001(3) Al4 Al3+ 0.005(7) 0.006(6) 0.006(6) 0.000 0.000 0.003(5) *end for ICSD #249140 |
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