Inorganic Solid Phases

Bi20Ca7NbO39.5 (CaNb0.145Bi2.855O5.645) Crystal Structure

General Information

  • Phase Label(s): CaNb0.145Bi2.855O5.645
  • Structure Class(es): fluorite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP22
  • Space Group: 11
  • Phase Prototype: (Ca0.5Bi0.5)2(Nb0.145Bi0.855)BiO5.645
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), X-rays, Cu Kα1; λ = 0.15406 nm (determination of cell parameters), neutrons; λ = 0.1594 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 127 variables, RP = 0.024; wRP = 0.030
  • Sample Detail(s): sample prepared from Bi2O3, CaCO3, Nb2O5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaNb0.145Bi2.855O5.645
  • Alphabetic Formula: Bi2.855CaNb0.145O5.645
  • Published Formula: Bi20Ca7NbO39.5
  • Refined Formula: Bi2.98Ca0.88Nb0.14O5.57
  • Wyckoff Sequence: 11,e11
  • Z Formula Units: 2
  • Density: ρ = 7.69 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_1126511

  • 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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