Inorganic Solid Phases

Ba2(Fe3+,Mn3+)(OH)(VO4)2 or (Ba1.80Sr0.20)(Fe0.56Mn0.44)(OH)[(V0.91As0.09)O4]2 (Ba1.8Sr0.2Mn0.44Fe0.56[VO4]1.82[AsO4]0.18[OH]) Crystal Structure

General Information

  • Phase Label(s): Ba1.8Sr0.2Mn0.44Fe0.56[VO4]1.82[AsO4]0.18[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gamagarite
  • Pearson Symbol: mP28
  • Space Group: 11
  • Phase Prototype: MnPb2[VO4]2[OH]
  • Measurement Detail(s): 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, vanadate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; I > 2σ(I), R = 0.058; wR = 0.065
  • Sample Detail(s): gamagarite sample from Italy, Apennines, Liguria, Val Graveglia, Molinello mine, electron microprobe analysis; (Ba1.80Sr0.20)(Fe0.56Mn0.44)[OH][(V0.91As0.09)O4]2, single crystal, 0.04×0.06×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba1.8Sr0.2Mn0.44Fe0.56[VO4]1.82[AsO4]0.18[OH]
  • Alphabetic Formula: [AsO4]0.18Ba1.8Fe0.56Mn0.44[OH]Sr0.2[VO4]1.82
  • Published Formula: Ba2(Fe3+,Mn3+)(OH)(VO4)2 or (Ba1.80Sr0.20)(Fe0.56Mn0.44)(OH)[(V0.91As0.09)O4]2
  • Refined Formula: As0.18Ba1.80Fe0.56HMn0.44O9Sr0.20V1.82
  • Wyckoff Sequence: 11,f2e9a
  • Z Formula Units: 2
  • Density: ρ = 4.69 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_1624181

  • 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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