Inorganic Solid Phases

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

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

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.

    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)

  • Cite this content

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