Inorganic Solid Phases

Cu0.5Zn0.5MoO4 (Cu0.5Zn0.5[MoO4]) Crystal Structure

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General Information

  • Phase Label(s): Cu0.5Zn0.5[MoO4]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP36
  • Space Group: 2
  • Phase Prototype: Zn[MoO4]
  • Measurement Detail(s): automatic diffractometer; 100 (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): molybdate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement; 167 variables; 2973 reflections; I > 2σ(I), R = 0.0335; wR = 0.0844
  • Sample Detail(s): sample prepared from CuMoO4, ZnMoO4, energy-dispersive X-ray analysis, photometry; Cu/Zn ratio 50/50 (by photometry) and 60/50 (by EDX analysis), single crystal (determination of cell parameters), single crystal, 0.1×0.15×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu0.5Zn0.5[MoO4]
  • Alphabetic Formula: Cu0.5[MoO4]Zn0.5
  • Published Formula: Cu0.5Zn0.5MoO4
  • Refined Formula: Cu0.50MoO4Zn0.50
  • Wyckoff Sequence: 2,i18
  • Z Formula Units: 6
  • Density: ρ = 4.33 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1703593

  • 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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