Inorganic Solid Phases

CuFe1−xMgxO2, x= 0.01 (Mg0.04CuFe0.96O1.98) Crystal Structure

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General Information

  • Phase Label(s): Mg0.04CuFe0.96O1.98
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hR12
  • Space Group: 166
  • Phase Prototype: CuFeO2
  • Measurement Detail(s): X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RB = 0.0713
  • Sample Detail(s): sample prepared from Cu2O, Fe2O3 (hematite), MgO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.01CuFe0.99O1.995
  • Alphabetic Formula: CuFe0.99Mg0.01O1.995
  • Published Formula: CuFe1−xMgxO2, x= 0.01
  • Refined Formula: CuFe0.99Mg0.01O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 5.50 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1942410

  • 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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