Inorganic Solid Phases

Bi0.33NbO3, BiNb3O9 (NbBi0.33O3 m) Crystal Structure

General Information

  • Phase Label(s): NbBi0.33O3 m
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP24
  • Space Group: 123
  • Phase Prototype: NbBi0.33O3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction SuperNova (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 292.3 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 29 variables; 318 reflections; F > 4σ(F), R = 0.034; wR = 0.121
  • Sample Detail(s): sample prepared from Bi2O3, Nb2O5, electron microprobe analysis; 32.7(5) wt.% Bi, 43.8(2) wt.% Nb; amounts of BiNbO4, twinned crystal (determination of cell parameters), twinned crystal, 0.05×0.07×0.204 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NbBi0.33O3
  • Alphabetic Formula: Bi0.33NbO3
  • Published Formula: Bi0.33NbO3, BiNb3O9
  • Refined Formula: Bi0.35NbO3
  • Wyckoff Sequence: 123,t2igba
  • Z Formula Units: 2
  • Density: ρ = 5.67 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_1231155

  • 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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