Inorganic Solid Phases

Bi3.5Nb0.8W0.2O7.85; Bi3+xNb0.8W0.2O7.1+3x/2, x= 0.5 (Nb0.2W0.05Bi0.75O1.775 ht, T = 1073 K) Crystal Structure

General Information

  • Phase Label(s): Nb0.2W0.05Bi0.75O1.775 ht
  • Structure Class(es): fluorite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF84
  • Space Group: 225
  • Phase Prototype: Ag2Te
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.12300 nm (determination of cell and structural parameters), T = 1073 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): average structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement; 49 variables, RP = 0.0273; wRP = 0.0404
  • Sample Detail(s): sample prepared from Bi2O3, WO3, Nb2O5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Nb0.178W0.044Bi0.778O1.744
  • Alphabetic Formula: Bi0.778Nb0.178O1.744W0.044
  • Published Formula: Bi3.5Nb0.8W0.2O7.85; Bi3+xNb0.8W0.2O7.1+3x/2, x= 0.5
  • Refined Formula: Bi0.78Nb0.18O1.74W0.04
  • Wyckoff Sequence: 225,ifa
  • Z Formula Units: 4
  • Density: ρ = 8.41 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]

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_1126491

  • 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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