Inorganic Solid Phases

CuxV4O11, x= 2.12 (Cu2.16V4O11) Crystal Structure

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General Information

  • Phase Label(s): Cu2.16V4O11
  • Structure Class(es): –
  • Classification by Properties: intermediate valence, semiconductor
  • Mineral Name(s): –
  • Pearson Symbol: mS32
  • Space Group: 8
  • Phase Prototype: Cu2.16V4O11
  • Measurement Detail(s): Weissenberg photographs; 107 (determination of cell parameters), automatic diffractometer; Rigaku AFC3 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540562 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): average structure determined; refinement in superspace, least-squares refinement; 324 variables; 2926 reflections; F > 1.97σ(F), R = 0.042; wR = 0.039
  • Sample Detail(s): sample prepared from Cu2O, V2O5, electron microprobe analysis; Cu2.12(2)V4O11, single crystal (determination of cell parameters), single crystal, 0.033×0.125×0.390 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2.12V4O11
  • Alphabetic Formula: Cu2.12O11V4
  • Published Formula: CuxV4O11, x= 2.12
  • Refined Formula: Cu2.12O11V4
  • Wyckoff Sequence: 8,b2a21
  • Z Formula Units: 2
  • Density: ρ = 4.31 Mg·m−3
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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_1713207

  • 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)

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