Inorganic Solid Phases

CuCr1.79V0.08Se4 (CuV0.4Cr1.6Se4) Crystal Structure

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General Information

  • Phase Label(s): CuV0.4Cr1.6Se4
  • Structure Class(es): spinel family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 21 variables, RP = 0.031; wRP = 0.051
  • Sample Detail(s): sample prepared from Cu, Cr, V, Se, energy-dispersive X-ray analysis; Cu13.69(7)Cr19.44(28)V0.84(3)Se66.03(19); trace amounts of CuSe2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuV0.08Cr1.79Se4
  • Alphabetic Formula: Cr1.79CuSe4V0.08
  • Published Formula: CuCr1.79V0.08Se4
  • Refined Formula: Cr1.78CuSe4V0.08
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 5.73 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1128818

  • 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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