Inorganic Solid Phases

CaCu2.3Fe0.7V4O12 (CaCu2.3V4Fe0.7O12) Crystal Structure

General Information

  • Phase Label(s): CaCu2.3V4Fe0.7O12
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI40
  • Space Group: 204
  • Phase Prototype: CaCu3Mn4O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.0139; wRP = 0.0189
  • Sample Detail(s): sample prepared from Ca[VO3]2, Fe2O3 (hematite), V2O5, Cu, energy-dispersive X-ray analysis; CaCu+0.7Cu2+1.6V4+4Fe3+0.7O12; amounts of VO2 and Fe2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaCu2.3V4Fe0.7O12
  • Alphabetic Formula: CaCu2.3Fe0.7O12V4
  • Published Formula: CaCu2.3Fe0.7V4O12
  • Refined Formula: CaCu2.30Fe0.70O12V4
  • Wyckoff Sequence: 204,gcba
  • Z Formula Units: 2
  • Density: ρ = 5.29 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226624

  • 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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