Inorganic Solid Phases

CdxGa2/3(1−x)Cr2Se4, x= 0.967 (CdCr1.2Ga0.8Se4 rt) Crystal Structure

General Information

  • Phase Label(s): CdCr1.2Ga0.8Se4 rt
  • Structure Class(es): spinel family
  • Classification by Properties: ferromagnet FM, semiconductor
  • Mineral Name(s):
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 8 variables; 138 reflections; I > 2σ(I), R = 0.0294; wR = 0.0762
  • Sample Detail(s): sample prepared from CdSe, Ga2Se3, CrCl3, X-ray microprobe analysis; 16.54 wt.% Cd, 20.26 wt.% Cr, 2.65 wt.% Ga, 60.54 wt.% Se, powder (determination of cell parameters), single crystal, 0.10×0.10×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cd0.967Cr2Ga0.022Se4
  • Alphabetic Formula: Cd0.967Cr2Ga0.022Se4
  • Published Formula: CdxGa2/3(1−x)Cr2Se4, x= 0.967
  • Refined Formula: Cd0.97Cr2Ga0.02Se4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 5.68 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

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_1612094

  • 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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