Inorganic Solid Phases

Bi0.71Ca0.29VO3.855 (Ca0.29VBi0.71O3.855) Crystal Structure

General Information

  • Phase Label(s): Ca0.29VBi0.71O3.855
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP24
  • Space Group: 81
  • Phase Prototype: (Cd0.22Bi0.78)VO3.72
  • Measurement Detail(s): automatic diffractometer; Rigaku AFC6R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 296 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 38 variables; 275 reflections; I > 2σ(I), R = 0.0720; wR = 0.1365
  • Sample Detail(s): sample prepared from Bi2O3, V2O5, CaCO3, single crystal, 0.04×0.04×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.29VBi0.71O3.855
  • Alphabetic Formula: Bi0.71Ca0.29O3.855V
  • Published Formula: Bi0.71Ca0.29VO3.855
  • Refined Formula: Bi0.72Ca0.28O3.92V
  • Wyckoff Sequence: 81,h4g2dcba
  • Z Formula Units: 4
  • Density: ρ = 5.90 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906151

  • 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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