Inorganic Solid Phases

Cu1.9Bi4.6Se8; Cux+yBi5−ySe8, (x,y)= (1.5, 0.3) (Cu1.7Bi4.7Se8) Crystal Structure

General Information

  • Phase Label(s): Cu1.7Bi4.7Se8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS54
  • Space Group: 12
  • Phase Prototype: Cu1.78Bi4.73Se8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.035497 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0234; wRP = 0.0372; RB = 0.051992
  • Sample Detail(s): sample prepared from Cu, Bi, Se, trace amounts of Bi2Se3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu1.9Bi4.6Se8
  • Alphabetic Formula: Bi4.6Cu1.9Se8
  • Published Formula: Cu1.9Bi4.6Se8; Cux+yBi5−ySe8, (x,y)= (1.5, 0.3)
  • Refined Formula: Bi4.60Cu1.90Se8
  • Wyckoff Sequence: 12,i12ha
  • Z Formula Units: 2
  • Density: ρ = 7.50 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_1641596

  • 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