Inorganic Solid Phases

Ba(Fe²⁺,Fe³⁺)₃[Si₂(Fe²⁺,Fe³⁺,Si)₂O_10−x(OH)_x](S,Cl)(OH); (Ba_0.87Mn_0.04K_0.05Na_0.04Ca_0.01)₄(Fe_0.82Mg_0.16Mn_0.02)₁₂(Si_0.96Al_0.04)₈(Si_0.36Fe_0.35Fe_0.29)₈O₄₀(OH)₄(S_0.85Cl_0.15)₄ (BaFe_4.4Si_2.6S_0.85Cl_0.15O₁₀[OH]) Crystal Structure

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General Information

Phase Label(s): BaFe_4.4Si_2.6S_0.85Cl_0.15O₁₀[OH]
Structure Class(es): mica family
Classification by Properties: –
Mineral Name(s): anandite 2O
Pearson Symbol: oP80
Space Group: 58
Phase Prototype: BaFe₃(Fe_0.7Si_0.3)₂Si₂(S_0.85Cl_0.15)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, (Ba_0.87Mn_0.04K_0.05Na_0.04Ca_0.01)₄(Fe_0.82Mg_0.16Mn_0.02)₁₂(Si_0.96Al_0.04)₈(Si_0.36Fe_0.35Fe_0.29)₈O₄₀[OH]₄(S_0.85Cl_0.15)₄, single crystal (determination of cell parameters), single crystal, 0.049×0.098×0.377 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: BaFe_4.4Si_2.6S_0.85Cl_0.15O₁₀[OH]
Alphabetic Formula: BaCl_0.15Fe_4.4O₁₀[OH]S_0.85Si_2.6
Published Formula: Ba(Fe²⁺,Fe³⁺)₃[Si₂(Fe²⁺,Fe³⁺,Si)₂O_10−x(OH)_x](S,Cl)(OH); (Ba_0.87Mn_0.04K_0.05Na_0.04Ca_0.01)₄(Fe_0.82Mg_0.16Mn_0.02)₁₂(Si_0.96Al_0.04)₈(Si_0.36Fe_0.35Fe_0.29)₈O₄₀(OH)₄(S_0.85Cl_0.15)₄
Refined Formula: Al_0.08Ba_0.96Cl_0.15Fe_3.73HMg_0.45Mn_0.14O₁₁S_0.85Si_2.64
Wyckoff Sequence: 58,h⁶g⁵feca
Z Formula Units: 4
Density: ρ = 4.27 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation	Co-ord. No.	Atomic Env.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published B [nm²]	Type	Computed B_eq [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1924503

Copyright

©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

Chief Editor

Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

villars.mpds@bluewin.ch

Credits

SpringerMaterials Release 2016.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials 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 sd_1924503 (Springer-Verlag GmbH, Heidelberg, © 2016)

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