Inorganic Solid Phases

Bi2.94Te1.01Se1.73S0.32 (Bi3TeSe2) (BiTe0.34Se0.56S0.10) Crystal Structure

General Information

  • Phase Label(s): BiTe0.34Se0.56S0.10
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): telluronevskite
  • Pearson Symbol: hP12
  • Space Group: 164
  • Phase Prototype: BiSe
  • Measurement Detail(s): diffractometer (determination of cell and structural parameters), X-rays, Cu K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide, selenide, telluride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): telluronevskite sample from Slovakia, Vihorlat Mountains, Kosice, electron microprobe analysis; Bi49.0S5.3Se28.8Te16.9; 68.84(6) wt.% Bi, 0.42(10) wt.% Pb, 15.41(7) wt.% Se, 14.58(17) wt.% Te, 1.14(7) wt.% S, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Bi0.98Te0.34Se0.58S0.10
  • Alphabetic Formula: Bi0.98S0.10Se0.58Te0.34
  • Published Formula: Bi2.94Te1.01Se1.73S0.32 (Bi3TeSe2)
  • Refined Formula: Bi0.98S0.11Se0.58Te0.34
  • Wyckoff Sequence: 164,d4c2
  • Z Formula Units: 6
  • Density: ρ = 8.09 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1520636

  • 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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