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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=85692 Help
TitleMoessbauer spectroscopy and Rietveld refinement on synthetic ferri-Tschermak's molecule Ca Fe(3+) (Fe(3+) Si) O6 substituted diopside.
AuthorsRedhammer, G.J.
ReferenceIC&volume=10&fpage=439&details=yes target=icsd_help>European Journal of Mineralogy (1998) 10, 439-452
Link XRef SCOPUS Google
CompoundCa0.991 Fe0.759 Mg0.641 O6 Si1.6 - [Diopside, subsilication ferrian] Calcium magnesium iron silicon oxide (0.99/0.64/0.76/1.6/6) [ABC2X6] [mS40] [f4 e2] []
Cell9.8007(4), 8.9002(3), 5.3214(2), 90., 105.856(3), 90.
C12/C1 (15) V=446.52
RemarksR=0.046000 : M =Diopside, subsilication ferrian : =Fe : X
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Mg1(4e)2
Fe1(4e)2
Fe2(4e)3
Ca1(4e)2
Si1(8f)4
Fe3(8f)3
O1(8f)-2
O2(8f)-2
O3(8f)-2
00.900.250.930.64
00.900.250.930.03
00.900.250.930.30
00.300.250.410.99
0.280.090.220.430.80
0.280.090.220.430.20
0.110.080.140.7(1
0.360.250.310.8(1
0.350.020.991.1(1

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