Inorganic Solid Phases

CsSnBi3Te6 (Cs0.5Sn0.5Bi1.5Te3) Crystal Structure

General Information

  • Phase Label(s): Cs0.5Sn0.5Bi1.5Te3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS24
  • Space Group: 63
  • Phase Prototype: Cs0.5(Pb0.25Bi0.75)2Te3
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), T = 273 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): telluride
  • Interpretation Detail(s): complete structure determined, R = 0.0467; wR = 0.1358
  • Sample Detail(s): sample prepared from CsBi4Te6, Sn, Te, energy-dispersive X-ray analysis; 0.87 Cs, 0.73 Sn, 3.30 Bi, 6.25 Te, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs0.5Sn0.5Bi1.5Te3
  • Alphabetic Formula: Bi1.5Cs0.5Sn0.5Te3
  • Published Formula: CsSnBi3Te6
  • Refined Formula: Bi1.58Cs0.42Sn0.42Te3
  • Wyckoff Sequence: 63,c6
  • Z Formula Units: 4
  • Density: ρ = 7.09 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
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_1620107

  • 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