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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=50620 Help
TitleElectron density study of garnets: Z3 Al2 Si3 O12 (Z = Mg, Fe, Mn, Ca) and Ca3 Fe2 Si3 O12.
AuthorsSawada, H.
ReferenceIC&volume=142&fpage=273&details=yes target=icsd_help>Journal of Solid State Chemistry (1999) 142, 273-278
Link XRef SCOPUS Google
CompoundAl1.96 Ca0.08 Fe2.29 Mg0.42 Mn0.26 O12 Si3 - [Almandine] Iron magnesium manganese calcium aluminium silicate (2.29/0.42/0.26/0.08/1.96/3) [A2B3C3X12] [cI160] [h d c a] [Al2Ca3Si3O12]
Cell11.5357(6), 11.5357(6), 11.5357(6), 90., 90., 90.
IA3-D (230) V=1535.08
RemarksR=0.010700 : M =Almandine : =Fe : P =9-427 : T =Al2Ca3Si3O12 : D
Deviation of the charge sum from zero tolerable.
Anharmonic refinement

Atom (site) Oxid. x, y, z, B, Occupancy
Fe1(24c)2
Mg1(24c)2
Mn1(24c)2
Ca1(24c)2
Al1(16a)3
Fe2(16a)3
Si1(24d)4
O1(96h)-2
00.250.120.580.75
00.250.120.580.14
00.250.120.580.08
00.250.120.580.02
0000.340.98
0000.340.02
00.250.370.281
0.030.040.650.451

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