Inorganic Solid Phases

BiTeI Crystal Structure

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): automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of structural parameters), T = 295 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): iodide, telluride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.129; wRP = 0.144; RB = 0.054
  • Sample Detail(s): sample prepared from Bi2Te3, BiI3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: BiTeI
  • Alphabetic Formula: BiITe
  • Published Formula: BiTeI
  • Refined Formula: BiITe
  • Wyckoff Sequence: 156,cba
  • Z Formula Units: 1
  • Density: ρ = 6.89 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1101124

  • 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