Inorganic Solid Phases

Ba(Fe,Mg)3(Si,Fe3+)4O10(OH)S (BaMg0.5Fe3.9Si2.6SO10[OH]) Crystal Structure

General Information

  • Phase Label(s): BaMg0.5Fe3.9Si2.6SO10[OH]
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): anandite 2M
  • Pearson Symbol: mS80
  • Space Group: 8
  • Phase Prototype: BaMg0.5Fe3.9Si2.6SO10[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, sulfide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 3219 reflections, R = 0.0473; wR = 0.1232
  • Sample Detail(s): anandite sample from Sri Lanka (Ceylon), Wilagedera, electron microprobe analysis; (Ba0.96K0.03Na0.01)(Fe2+2.01Mg0.46Fe3+0.28Al0.10Mn3+0.04Mn2+0.04Ti0.01)(Si2.60Fe3+1.40)O10[[OH]0.96S0.84Cl0.16F0.04], single crystal (determination of cell parameters), single crystal, 0.061×0.201×0.296 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BaMg0.5Fe3.9Si2.6SO10[OH]
  • Alphabetic Formula: BaFe3.9Mg0.5O10[OH]SSi2.6
  • Published Formula: Ba(Fe,Mg)3(Si,Fe3+)4O10(OH)S
  • Refined Formula: Al0.09BaFe3.88H1.30Mg0.15Mn0.07O11.30S0.70Si2.82
  • Wyckoff Sequence: 8,b14a12
  • Z Formula Units: 4
  • Density: ρ = 4.19 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223935

  • 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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