Inorganic Solid Phases

BiTeI; (Bi2Te3)x(BiI3)1−x, x= 0.50 (BiTeI rt) Crystal Structure

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General Information

  • Phase Label(s): BiTeI rt
  • Structure Class(es): –
  • Classification by Properties: semiconductor
  • Mineral Name(s): –
  • Pearson Symbol: hP3
  • Space Group: 156
  • Phase Prototype: BiTeI
  • Measurement Detail(s): Weissenberg photographs (determination of structural parameters), X-rays (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): iodide, telluride
  • Interpretation Detail(s): complete structure determined, block-diagonal least-squares refinement, R = 0.174
  • Sample Detail(s): sample prepared from Bi, Te, I2, chemical analysis, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: BiTeI
  • Alphabetic Formula: BiITe
  • Published Formula: BiTeI; (Bi2Te3)x(BiI3)1−x, x= 0.50
  • Refined Formula: BiITe
  • Wyckoff Sequence: 156,cba
  • Z Formula Units: 1
  • Density: ρ = 6.88 Mg·m−3
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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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1925402

  • 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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