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★ sunqlxy(金币+2):谢谢参与 sunqlxy(金币+6):谢谢您的帮助 2010-12-31 09:00:03
*data for ICSD #68753
Coll Code 68753
Rec Date 1994/06/30
Mod Date 2006/04/01
Chem Name Dicalcium Silicate - Gamma
Structured Ca2 (Si O4)
Sum Ca2 O4 Si1
ANX AB2X4
Min Name Calcio-olivine
D(calc) 2.97
Title Precision estimates of interatomic distances using site occupancies,
ionization potentials and polarizability in Pbnm silicate olivines
Author(s) della Giusta, A.;Ottonello, G.;Secco, L.
Reference Acta Crystallographica B (39,1983-)
(1990), 46, 160-165
Golden Book of Phase Transitions, Wroclaw
(2002), 1, 1-123
Unit Cell 5.078(2) 11.225(3) 6.760(2) 90. 90. 90.
Vol 385.32
Z 4
Space Group P b n m
SG Number 62
Cryst Sys orthorhombic
Pearson oP28
Wyckoff d c4 a
Red Cell P 5.078 6.76 11.225 89.999 89.999 90 385.324
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments Sample 59, used for theor. predictions, cf. 68754
For refined data cf. 9095
Stable up to 700 K (2nd ref., Tomaszewski), 700-943 K:
P21/n, m.p. 2400 K
Compound with mineral name: Calcio-olivine
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-080-0941
The structure has been assigned a PDF number (experimental
powder diffraction data): 31-297
Structure calculated theoretically
Structure type : Mg2SiO4
No R value given in the paper.
Atom # OX SITE x y z SOF H
Ca 1 +2 4 a 0 0 0 1. 0
Si 1 +4 4 c 0.4283 0.0959 0.25 1. 0
Ca 2 +2 4 c 0.9904 0.2809 0.25 1. 0
O 1 -2 4 c 0.7498 0.0926 0.25 1. 0
O 2 -2 4 c 0.2981 -.0392 0.25 1. 0
O 3 -2 8 d 0.2954 0.162 0.0567 1. 0
*end for ICSD #68753 |
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