Inorganic Solid Phases

(Cu0.95)(Cu0.15)(Cr1.30Sn0.70)S4 (Cu1.1Cr1.3Sn0.7S4) Crystal Structure

General Information

  • Phase Label(s): Cu1.1Cr1.3Sn0.7S4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF72
  • Space Group: 227
  • Phase Prototype: Cu1.1(Cr0.65Sn0.35)2S4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1B (determination of structural parameters), neutrons; λ = 0.2512 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.036
  • Sample Detail(s): amounts of Cu2S, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu1.1Cr1.3Sn0.7S4
  • Alphabetic Formula: Cr1.3Cu1.1S4Sn0.7
  • Published Formula: (Cu0.95)(Cu0.15)(Cr1.30Sn0.70)S4
  • Refined Formula: Cr1.30Cu1.10S4Sn0.70
  • Wyckoff Sequence: 227,edca
  • Z Formula Units: 8
  • Density: ρ = 4.50 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

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0462176

  • 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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