Inorganic Solid Phases

(In0.88Bi0.12)2Se3; (In0.884+dBi0.116−d)2Se3 (InBiSe3 rhom) Crystal Structure

General Information

  • Phase Label(s): InBiSe3 rhom
  • Structure Class(es):
  • Classification by Properties: metal, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: hR15
  • Space Group: 166
  • Phase Prototype: Bi2Te3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; F > 4σ(F), R = 0.0235; wR = 0.0506
  • Sample Detail(s): sample prepared from Bi, In, Se, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: In1.76Bi0.24Se3
  • Alphabetic Formula: Bi0.24In1.76Se3
  • Published Formula: (In0.88Bi0.12)2Se3; (In0.884+dBi0.116−d)2Se3
  • Refined Formula: Bi0.23In1.77Se2.99
  • Wyckoff Sequence: 166,fc2
  • Z Formula Units: 3
  • Density: ρ = 6.23 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

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_1638245

  • 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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