Inorganic Solid Phases

Cu12.3Sb4S13 (Cu12Sb4S13) Crystal Structure

General Information

  • Phase Label(s): Cu12Sb4S13
  • Structure Class(es):
  • Classification by Properties: semiconductor
  • Mineral Name(s): tetrahedrite
  • Pearson Symbol: cI58
  • Space Group: 217
  • Phase Prototype: Cu10Te4S13
  • Measurement Detail(s): Weissenberg photographs; 22 (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays (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, full-matrix least-squares refinement; 114 reflections, R = 0.041; wR = 0.041
  • Sample Detail(s): tetrahedrite sample from, sample prepared from Cu, Sb, S, single crystal (determination of cell parameters), single crystal, 0.5 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu12.3Sb4S13
  • Alphabetic Formula: Cu12.3S13Sb4
  • Published Formula: Cu12.3Sb4S13
  • Refined Formula: Cu11.40S13Sb4
  • Wyckoff Sequence: 217,gedca
  • Z Formula Units: 2
  • Density: ρ = 5.09 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

Displacement Parameters

Isotropic

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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1000932

  • 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