Inorganic Solid Phases

Cu1.75Bi4.525S8 (Cu1.6Bi4.8S8 mon, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Cu1.6Bi4.8S8 mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS46
  • Space Group: 12
  • Phase Prototype: Cu1.6Bi4.8S8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku SmartLab (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154059 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0867; wRP = 0.0903
  • Sample Detail(s): sample prepared from Cu, Bi, S, energy-dispersive X-ray analysis; Cu11.19−12.52Bi32.54−33.18S54.77−55.63, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu1.75Bi4.525S8
  • Alphabetic Formula: Bi4.525Cu1.75S8
  • Published Formula: Cu1.75Bi4.525S8
  • Refined Formula: Bi4.53Cu1.78S8
  • Wyckoff Sequence: 12,i10ha
  • Z Formula Units: 2
  • Density: ρ = 6.42 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1725143

  • 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)

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