Inorganic Solid Phases

[Cu+20.341][H+0.30]4[Cu+10.073H00.315]2[Cr+3]2O4 (Cu0.47Cr2O2.8[OH]1.20H0.63, T = 590 K) Crystal Structure

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General Information

  • Phase Label(s): Cu0.47Cr2O2.8[OH]1.20H0.63
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF104
  • Space Group: 227
  • Phase Prototype: Cu0.47Cr2O2.8[OH]1.20H0.63
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor (determination of structural parameters), neutrons; λ = 0.121 nm (determination of cell and structural parameters), T = 590 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, hydride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase
  • Sample Detail(s): sample prepared from CuCr2O4, amounts of reduced Cu0, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu0.47Cr2O2.8[OH]1.20H0.63
  • Alphabetic Formula: Cr2Cu0.47H0.63O2.8[OH]1.20
  • Published Formula: [Cu+20.341][H+0.30]4[Cu+10.073H00.315]2[Cr+3]2O4
  • Refined Formula: Cr2Cu0.49H1.83O4
  • Wyckoff Sequence: 227,e2dca
  • Z Formula Units: 8
  • Density: ρ = 4.56 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
B [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
2θ [°]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220833

  • 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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