Inorganic Solid Phases

Cu9Bi9S16Cl8 (Cu4.5Bi4.5S8Cl4, T = 130(2) K) Crystal Structure

General Information

  • Phase Label(s): Cu4.5Bi4.5S8Cl4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS76
  • Space Group: 12
  • Phase Prototype: Cu4.5Bi4.5S8Cl4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 130(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): chloride, sulfide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 84 variables; F > 4σ(F), R = 0.054; wR = 0.089
  • Sample Detail(s): sample prepared from Cu, CuCl, S, Bi2S3, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cu4.5Bi4.5S8Cl4
  • Alphabetic Formula: Bi4.5Cl4Cu4.5S8
  • Published Formula: Cu9Bi9S16Cl8
  • Refined Formula: Bi4.53Cl4Cu4.46S8
  • Wyckoff Sequence: 12,ji14g2ba
  • Z Formula Units: 2
  • Density: ρ = 5.73 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1716177

  • 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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