Inorganic Solid Phases

Ni0.49Cr1.75In0.58S4 (Cr3.40NiIn1.26S8 ht) Crystal Structure

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; composition dependence studied, Rietveld refinement, multiphase, RB = 0.0852
  • Sample Detail(s): sample prepared from NiS, Cr2S3, In2S3, three-phase sample (14.7 mol.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr3.5Ni0.98In1.16S8
  • Alphabetic Formula: Cr3.5In1.16Ni0.98S8
  • Published Formula: Ni0.49Cr1.75In0.58S4
  • Refined Formula: Cr3.52In1.16Ni0.96S8
  • Wyckoff Sequence: 216,e3da
  • Z Formula Units: 4
  • Density: ρ = 4.09 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_1614109

  • 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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