Inorganic Solid Phases

Ni0.5Cr1.75In0.56S4 (Cr3.40NiIn1.26S8 ht) Crystal Structure

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General Information

  • Phase Label(s): Cr3.40NiIn1.26S8 ht
  • Structure Class(es): spinel family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF56
  • Space Group: 216
  • Phase Prototype: Mo4Al1.1S8
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; Seifert MZ-IV (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RB = 0.0582
  • Sample Detail(s): sample prepared from NiS, Cr2S3, In2S3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr3.36Ni0.94In1.38S8
  • Alphabetic Formula: Cr3.36In1.38Ni0.94S8
  • Published Formula: Ni0.5Cr1.75In0.56S4
  • Refined Formula: Cr3.36In1.37Ni0.93S8
  • Wyckoff Sequence: 216,e3da
  • Z Formula Units: 4
  • Density: ρ = 4.22 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_1613697

  • 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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