Inorganic Solid Phases

CoIn(2−2x)Cr(2x)S4, x= 0.75 (CrCoInS4) Crystal Structure

General Information

  • Phase Label(s): CrCoInS4
  • Structure Class(es): spinel family
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s):
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5005 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154059 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.060; wRP = 0.067; RB = 0.051
  • Sample Detail(s): sample prepared from In, Cr, Co, S, amounts of CoIn2S4 (10.1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr1.5CoIn0.5S4
  • Alphabetic Formula: CoCr1.5In0.5S4
  • Published Formula: CoIn(2−2x)Cr(2x)S4, x= 0.75
  • Refined Formula: CoCr1.50In0.50S4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.20 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1637497

  • 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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