Inorganic Solid Phases

Cu2MnGe0.55Sn0.45S4 (Cu2MnSn0.5Ge0.5S4) Crystal Structure

General Information

  • Phase Label(s): Cu2MnSn0.5Ge0.5S4
  • Structure Class(es): normal adamantane structure
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP16
  • Space Group: 31
  • Phase Prototype: Cu2CdSiS4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Cu Kα1 (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 45 variables; I > 2σ(I), R = 0.0258; wR = 0.0270
  • Sample Detail(s): sample prepared from Cu2MnGeS4, Cu2MnSnS4, powder (determination of cell parameters), single crystal, 0.20×0.24×0.32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu2MnSn0.45Ge0.55S4
  • Alphabetic Formula: Cu2Ge0.55MnS4Sn0.45
  • Published Formula: Cu2MnGe0.55Sn0.45S4
  • Refined Formula: Cu2Ge0.55MnS4Sn0.45
  • Wyckoff Sequence: 31,b2a4
  • Z Formula Units: 2
  • Density: ρ = 4.22 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1122674

  • 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

    Citation copied