Inorganic Solid Phases

Bi0.5Te0.5OF1.5; Bi0.5Te0.5(O,F)2+d, phase IV (BiTeO2F3 rt) Crystal Structure

General Information

  • Phase Label(s): BiTeO2F3 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI128
  • Space Group: 206
  • Phase Prototype: BiTeO2F3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.041; wRP = 0.056; RB = 0.046
  • Sample Detail(s): sample prepared from Bi2O3, BiF3, BiOF, TeO2, energy-dispersive X-ray analysis; Te1.01(2)Bi0.99(2); amounts of Bi0.54Te0.46(O,F)2+d (2.06(6) wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BiTeO2F3
  • Alphabetic Formula: BiF3O2Te
  • Published Formula: Bi0.5Te0.5OF1.5; Bi0.5Te0.5(O,F)2+d, phase IV
  • Refined Formula: BiO4Te
  • Wyckoff Sequence: 206,ed2c2
  • Z Formula Units: 16
  • Density: ρ = 7.38 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1127402

  • 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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