Inorganic Solid Phases

CuCr1.7V0.3S4 (CuV0.3Cr1.7S4, p = 5.701(6) GPa) Crystal Structure

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General Information

  • Phase Label(s): CuV0.3Cr1.7S4
  • Structure Class(es): spinel family
  • Classification by Properties: ferromagnet FM, metal
  • Mineral Name(s): cuprokalininite
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters), p = 5.701(6) GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, least-squares refinement; 8 variables; 71 reflections; I > 2σ(I), R = 0.064; wR = 0.158
  • Sample Detail(s): cuprokalininite sample from unknown, chemical analysis; (Cu0.98Fe0.02Zn0.01)(Cr1.65V0.34As0.01)S3.99, data quoted from the literature, single crystal (determination of cell parameters), single crystal, 0.060×0.090×0.130 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuV0.3Cr1.7S4
  • Alphabetic Formula: Cr1.7CuS4V0.3
  • Published Formula: CuCr1.7V0.3S4
  • Refined Formula: Cr1.70CuS4V0.30
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.38 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_1235252

  • 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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