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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=31276 Help
TitleUntersuchungen zur Elektronendichteverteilung im Dolomit Ca Mg (C O3)2.
AuthorsEffenberger, H.;Kirfel, A.;Will, G.
ReferenceTMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1983) 31, 151-164
Link XRef SCOPUS SCIRUS Google
CompoundC2 Ca1 Mg1 O6 - [Dolomite] Calcium magnesium carbonate [ABC2X6] [hR10] [f c b a] []
Cell4.808(1), 4.808(1), 16.0220(30), 90., 90., 120.
R3-H (148) V=320.76
RemarksR=0.018000 : MIN =Dolomite : PDF =36-426 : ESC
PDF 36-426, also ionic and multipole models refined

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(3a)2
Mg1(3b)2
C1(6c)4
O1(18f)-2
00001
000.501
000.24287(3)01
0.24796(6)-.03470(7)0.24402(2)01
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ca1(3a)2
Mg1(3b)2
C1(6c)4
O1(18f)-2
0.00966(7)0.00966(7)0.00059(1)0.00483(4)00
0.00539(10)0.00539(10)0.00046(1)0.00270(5)00
0.00788(14)0.00788(14)0.00061(1)0.00394(7)00
0.00957(8)0.01334(9)0.00107(1)0.00745(7)-.00062(2)-.0097(2)

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