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君-good(金币+3, 博学EPI+1): 2010-11-25 15:07:22
MgCl2属于R3MH空间群
Chem Name Magnesium Chloride
Structured Mg Cl2
Sum Cl2 Mg1
ANX AX2
Min Name Chloromagnesite
D(calc) 2.34
Title The structures and crystal chemistry of magnesium chloride and
cadmium chloride
Author(s) Partin, D.E.;O'Keefe, M.
Reference Journal of Solid State Chemistry
(1991), 95, 176-183
Unit Cell 3.6363(1) 3.6363(1) 17.66629(50) 90. 90. 120.
Vol 202.3
Z 3
Space Group R -3 m H
SG Number 166
Cryst Sys trigonal/rhombohedral
Pearson hR3
Wyckoff c a
R Value 0.1
Red Cell RH 3.636 3.636 6.251 73.092 73.092 60 67.433
Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333
Comments Compound with mineral name: Chloromagnesite
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-089-1567
The structure has been assigned a PDF number (experimental
powder diffraction data): 37-774
Rietveld profile refinement applied
Structure type : CdCl2(3R)
X-ray diffraction (powder)
Atom # OX SITE x y z SOF H
Mg 1 +2 3 a 0 0 0 1. 0
Cl 1 -1 6 c 0 0 0.25784(8) 1. 0
Lbl Type U11 U22 U33 U12 U13 U23
Mg1 Mg2+ 0.025(2) 0.025(2) 0.027(2) 0.012(2) 0 0
Cl1 Cl1- 0.045(2) 0.045(2) 0.003(1) 0.0220(9) 0 0
*end for ICSD #86439 |
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