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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=77718 Help
TitleAn anomaly in the hydrogen-bond system in mixed deuterated magnesium-iron fluosilicates.
AuthorsChevrier, G.
ReferenceIC&volume=111&fpage=322&details=yes target=icsd_help>Journal of Solid State Chemistry (1994) 111, 322-329
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CompoundD12 F6 Fe0.17 Mg0.83 O6 Si1 - Magnesium iron hexafluorosilicate dideuteriohydrate (0.83/0.17/1/6) [ABX6Y6] [hR26] [f4 b a] []
Cell9.567(10), 9.567(10), 9.717(12), 90., 90., 120.
R3-H (148) V=770.22
RemarksR=0.083000 : N P =1-248 : T =296 :
Space group was wrongly given as P3-
PDF 1-248 (Mg Si F6 6(H2 O))
Crystal B, refined with unconstrained position of D2, cp. 77718

Atom (site) Oxid. x, y, z, B, Occupancy
Mg1(3a)2
Fe1(3a)2
Si1(3b)4
F1(18f)-1
O1(18f)-2
D1(18f)1
D2(18f)1
0001.620.83
0001.620.17
000.51.521
0.860.840.392.651
0.060.190.123.261
0.030.180.214.261
0.150.300.104.751

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