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★
pppbbbccc(金币+2):谢谢参与
CODE: [Copy to clipboard]
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*data for ICSD #15194
Coll Code 15194
Rec Date 1980/01/01
Mod Date 1997/11/10
Chem Name Calcium Carbonate
Structured Ca C O3
Sum C1 Ca1 O3
ANX ABX3
Min Name Aragonite（文石）
D(calc) 2.93
Title Crystal structures of aragonite, strontianite, and witherite
Author(s) de Villiers, J.P.R.
Reference American Mineralogist
(1971), 56, 758-766
Unit Cell 4.9614(3) 7.9671(4) 5.7404(4) 90. 90. 90. （晶格常数，角度）
Vol 226.91
Z 4
Space Group P m c n(空间群)
SG Number 62
Cryst Sys orthorhombic
Pearson oP20
Wyckoff d c3
R Value .031
Red Cell P 4.961 5.740 7.967 89.999 89.999 90 226.906
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments Compound with mineral name: Aragonite
The structure has been assigned a PDF number: 41-1475
Atom # OX SITE x y z SOF H
Ca 1 +2 4 c 0.25 0.4150(1) 0.7597(3) 1. 0
C 1 +4 4 c 0.25 0.7622(4) -.0862(10) 1. 0
O 1 -2 4 c 0.25 0.9225(4) -.0962(9) 1. 0
O 2 -2 8 d 0.4736(4) 0.6810(3) -.0862(5) 1. 0
Lbl Type Beta11 Beta22 Beta33 Beta12 Beta13 Beta23
Ca1 Ca2+ 0.0062(1) 0.0021(1) 0.0063(4) 0 0 0.0001(2)
C1 C4+ 0.0065(9) 0.0027(3) 0.0025(25) 0 0 -.0006(3)
O1 O2- 0.0122(9) 0.0028(3) 0.0086(18) 0 0 -.0011(5)
O2 O2- 0.0053(5) 0.0042(2) 0.0069(12) 0.0008(3) -.0001(5) -.003(4)
*end for ICSD #15194 |
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