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landywong(金币+5, 博学EPI+1): 2010-05-04 14:38:23
*data for ICSD #41145
Coll Code 41145
Rec Date 1999/11/30
Mod Date 2007/04/01
Chem Name Triyttrium Pentaaluminium Oxide
Structured Y3 Al5 O12
Sum Al5 O12 Y3
ANX A3B5X12
Min Name Unnamed_Garnet
D(calc) 4.56
Title Photoinduced effects and real structure of crystals of yttrium
aluminum garnet
Author(s) Bagdasarov, Kh.S.;Bolotina, N.B.;Kalinin, V.I.;Karyagin,
V.F.;Kuz'min, B.V.;Muradyan, L.A.;Ryadnov, S.N.;Uyukin,
E.M.;Chernaya, T.S.;Fedorov, E.A.;Chudakov, V.S.;Simonov, V.I.
Reference Kristallografiya
(1991), 36, 715-728
Unit Cell 12.002(2) 12.002(2) 12.002(2) 90. 90. 90.
Vol 1728.86
Z 8
Space Group I a -3 d
SG Number 230
Cryst Sys cubic
Pearson cI160
Wyckoff h d c a
R Value .021
Red Cell I 10.394 10.394 10.394 109.471 109.471 109.471 864.432
Trans Red 0.500 0.500 -0.500 / -0.500 0.500 0.500 / 0.500 -0.500 0.500
Comments Wrong sign for y(O1) corrected
Sample after annealing at 873 K
Compound with mineral name: Unnamed_Garnet
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-088-2048
The structure has been assigned a PDF number (experimental
powder diffraction data): 33-40
Structure type : Al2Ca3Si3O12
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
Al 1 +3 16 a 0 0 0 1. 0
Al 2 +3 24 d 0.375 0 0.25 1. 0
Y 1 +3 24 c 0.125 0 0.25 1. 0
O 1 -2 96 h 0.4694(1) 0.0506(1) 0.3507(1) 1. 0
Lbl Type B11 B22 B33 B12 B13 B23
Al1 Al3+ 0.49(4) 0.67(2) 0.67(3) 0 0 0
Al2 Al3+ 0.57(2) 0.57(2) 0.57(2) -.02(3) -.02(3) -.02(3)
Y1 Y3+ 0.42(1) 0.61(2) 0.61(1) 0 0 0
O1 O2- 0.69(5) 0.83(5) 0.66(5) 0.04(4) -.10(4) 0
*end for ICSD #41145 |
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