Inorganic Solid Phases

BaFe2+3(Si3Fe3+)O10(OH)S, anandite-2Or (BaMg0.5Fe3.5Si3SO10[OH]) Crystal Structure

General Information

  • Phase Label(s): BaMg0.5Fe3.5Si3SO10[OH]
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP80
  • Space Group: 58
  • Phase Prototype: BaFe3(Fe0.7Si0.3)2Si2(S0.85Cl0.15)O10[OH]
  • Measurement Detail(s): 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1074 reflections; I > 3σ(I), R = 0.052; wR = 0.064
  • Sample Detail(s): sample from Sri Lanka (Ceylon), Wilagedera, electron microprobe analysis; (Si2.599Fe3+1.401)(Fe3+0.281Fe2+2.006Al0.099Mg0.456Mn3+0.038Mn2+0.044Ti0.006)(Ba0.955K0.032Na0.013)S0.842Cl0.163F0.040Ox, single crystal, 0.7×0.07 mm2 cross-section (determination of structural parameters)

Substance Summary

  • Standard Formula: BaMg0.5Fe3.5Si3SO10[OH]
  • Alphabetic Formula: BaFe3.5Mg0.5O10[OH]SSi3
  • Published Formula: BaFe2+3(Si3Fe3+)O10(OH)S, anandite-2Or
  • Refined Formula: BaFe4HMg0.41O11SSi2.60
  • Wyckoff Sequence: 58,h6g5feca
  • Z Formula Units: 4
  • Density: ρ = 4.12 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2041481

  • 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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