Ba(Fe2+,Fe3+)3[Si2(Fe2+,Fe3+,Si)2O10−x(OH)x](S,Cl)(OH); (Ba0.87Mn0.04K0.05Na0.04Ca0.01)4(Fe0.82Mg0.16Mn0.02)12(Si0.96Al0.04)8(Si0.36Fe0.35Fe0.29)8O40(OH)4(S0.85Cl0.15)4 (BaFe4.4Si2.6S0.85Cl0.15O10[OH]) Crystal Structure
General Information
- Phase Label(s): BaFe4.4Si2.6S0.85Cl0.15O10[OH]
- Structure Class(es): mica family
- Classification by Properties: –
- Mineral Name(s): anandite 2O
- Pearson Symbol: oP80
- Space Group: 58
- Phase Prototype: BaFe3(Fe0.7Si0.3)2Si2(S0.85Cl0.15)O10[OH]
- Measurement Detail(s): Weissenberg photographs (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
- Phase Class(es): –
- Compound Class(es): hydroxide, silicate, chloride, sulfide
- Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 409 reflections, R = 0.061
- Sample Detail(s): anandite sample from, (Ba0.87Mn0.04K0.05Na0.04Ca0.01)4(Fe0.82Mg0.16Mn0.02)12(Si0.96Al0.04)8(Si0.36Fe0.35Fe0.29)8O40[OH]4(S0.85Cl0.15)4, single crystal (determination of cell parameters), single crystal, 0.049×0.098×0.377 mm3 (determination of structural parameters)
Substance Summary
- Standard Formula: BaFe4.4Si2.6S0.85Cl0.15O10[OH]
- Alphabetic Formula: BaCl0.15Fe4.4O10[OH]S0.85Si2.6
- Published Formula: Ba(Fe2+,Fe3+)3[Si2(Fe2+,Fe3+,Si)2O10−x(OH)x](S,Cl)(OH); (Ba0.87Mn0.04K0.05Na0.04Ca0.01)4(Fe0.82Mg0.16Mn0.02)12(Si0.96Al0.04)8(Si0.36Fe0.35Fe0.29)8O40(OH)4(S0.85Cl0.15)4
- Refined Formula: Al0.08Ba0.96Cl0.15Fe3.73HMg0.45Mn0.14O11S0.85Si2.64
- Wyckoff Sequence: 58,h6g5feca
- Z Formula Units: 4
- Density: ρ = 4.27 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1924503
©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016
Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland
SpringerMaterials Release 2016.
Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS
All Rights Reserved. Version 2016.10.
Project Coordinator: Shuichi Iwata
Section-Editor: Karin Cenzual (Crystal Structures)
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