Inorganic Solid Phases

Cu2Fe1−xZnxSnS4, x= 0.7 (Cu2Zn0.5Fe0.5SnS4) Crystal Structure

General Information

  • Phase Label(s): Cu2Zn0.5Fe0.5SnS4
  • Structure Class(es): normal adamantane structure
  • Classification by Properties:
  • Mineral Name(s): stannite
  • Pearson Symbol: tI16
  • Space Group: 121
  • Phase Prototype: Cu2FeSnS4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E9, FIREPOD (determination of structural parameters), neutrons; λ = 0.179729(2) 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, RB = 0.029
  • Sample Detail(s): sample prepared from Cu, Fe, Sn, S, Zn, electron microprobe analysis; Cu2.03Zn0.71Fe0.29Sn0.97S4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2Zn0.7Fe0.3SnS4
  • Alphabetic Formula: Cu2Fe0.3S4SnZn0.7
  • Published Formula: Cu2Fe1−xZnxSnS4, x= 0.7
  • Refined Formula: Cu2Fe0.30S4SnZn0.70
  • Wyckoff Sequence: 121,idba
  • Z Formula Units: 2
  • Density: ρ = 4.54 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1924246

  • 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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