Inorganic Solid Phases

Cu4O2[(As,V)O4]Cl (Cu4[VO4]0.46[AsO4]0.54ClO2) Crystal Structure

General Information

  • Phase Label(s): Cu4[VO4]0.46[AsO4]0.54ClO2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): coparsite
  • Pearson Symbol: oP48
  • Space Group: 57
  • Phase Prototype: Cu4[(V0.5As0.5)O4]ClO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, vanadate, chloride, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 61 variables; 910 reflections; I > 2σ(I), R = 0.049; wR = 0.048
  • Sample Detail(s): coparsite sample from Russia, Kamchatka Peninsula, Tolbachik volcanic complex, single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu4[VO4]0.46[AsO4]0.54ClO2
  • Alphabetic Formula: [AsO4]0.54ClCu4O2[VO4]0.46
  • Published Formula: Cu4O2[(As,V)O4]Cl
  • Refined Formula: As0.54ClCu4O6V0.46
  • Wyckoff Sequence: 57,e4d3c
  • Z Formula Units: 4
  • Density: ρ = 4.76 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_1001921

  • 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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