Inorganic Solid Phases

Ba2Fe3+(AsO4)2(OH) (Ba2Mn0.3Fe0.55Al0.15[VO4]0.7[AsO4]1.3[OH]) Crystal Structure

General Information

  • Phase Label(s): Ba2Mn0.3Fe0.55Al0.15[VO4]0.7[AsO4]1.3[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): canosioite
  • Pearson Symbol: mP28
  • Space Group: 11
  • Phase Prototype: MnPb2[VO4]2[OH]
  • Measurement Detail(s): automatic diffractometer; 2505 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini R Ultra (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, vanadate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 88 variables; 1245 reflections; I > 2σ(I), R = 0.0258; wR = 0.0520
  • Sample Detail(s): canosioite sample from Italy, Piedmont, Cuneo, Maira Valley, Canosio, Valletta mine, electron microprobe analysis; (Ba1.92Pb0.05Sr0.02Na0.01)(Fe3+0.52Mn3+0.29Al0.15Mg0.06)[(As0.64V0.36)O4]2([OH]0.92F0.01[H2O]0.07), single crystal (determination of cell parameters), single crystal, 0.05×0.06×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2Mn0.3Fe0.55Al0.15[VO4]0.7[AsO4]1.3[OH]
  • Alphabetic Formula: Al0.15[AsO4]1.3Ba2Fe0.55Mn0.3[OH][VO4]0.7
  • Published Formula: Ba2Fe3+(AsO4)2(OH)
  • Refined Formula: As1.10Ba1.86Fe0.77HMg0.23O9Sr0.14V0.90
  • Wyckoff Sequence: 11,f2e9a
  • Z Formula Units: 2
  • Density: ρ = 4.94 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_1243860

  • 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

    Citation copied