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【答案】应助回帖
★
感谢参与，应助指数 +1
linhua0402313: 金币+1, 恩，感谢回帖交流，不过把cif文件上传一下最好了 2012-08-11 12:21:19
*data for ICSD #50442
Coll Code 50442
Rec Date 1999/11/30
Chem Name Europium(II) Dilithosilicate
Structured Eu ((Li2 Si) O4)
Sum Eu1 Li2 O4 Si1
ANX ABC2X4
D(calc) 4.71
Title Li2 Eu Si O4, ein Europium(II)-dilithosilicat: Eu ((Li2 Si) O4)
Author(s) Haferkorn, B.;Meyer, G.
Reference Zeitschrift fuer Anorganische und Allgemeine Chemie
(1998), 624, 1079-1081
Unit Cell 5.0270(5) 5.0270(5) 12.470(2) 90. 90. 120.
Vol 272.91
Z 3
Space Group P 31 2 1
SG Number 152
Cryst Sys trigonal/rhombohedral
Pearson hP24
Wyckoff c3 b a
R Value .0282
Red Cell P 5.027 5.027 12.47 90 90 120 272.907
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-089-0133
Structure type : Cu2SnSrS4
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
Li 1 +1 6 c 0.406(2) 0.073(2) 0.0794(6) 1. 0
Eu 1 +2 3 b 0 0.4174(1) 0.1667 1. 0
Si 1 +4 3 a 0.7228(3) 0.7228(3) 0 1. 0
O 1 -2 6 c 0.5494(7) 0.5157(6) 0.1063(2) 1. 0
O 2 -2 6 c 0.7615(6) 0.0674(6) 0.0035(2) 1. 0
Lbl Type U11 U22 U33 U12 U13 U23
Li1 Li1+ 0.0013(3) 0.0020(4) 0.0018(3) 0.0009(3) -.0002(2) 0.0000(2)
Eu1 Eu2+ 0.0012(1) 0.0013(1) 0.0011(1) 0.0006(1) -.0001(1) 0.0000(1)
Si1 Si4+ 0.0010(1) 0.0010(1) 0.0010(1) 0.0005(1) 0.0000(1) 0.0000(1)
O1 O2- 0.0016(1) 0.0014(1) 0.0011(1) 0.0007(1) 0.0003(1) 0.0003(1)
O2 O2- 0.0014(1) 0.0012(1) 0.0014(1) 0.0007(1) 0.0001(1) 0.0000(1)
*end for ICSD #50442 |
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