Inorganic Solid Phases

0.92Bi1/2Na1/2TiO3-0.06BaTiO3-0.02K1/2Na1/2NbO3 (K0.01Na0.47Ba0.06Ti0.98Nb0.02Bi0.46O3 tet) Crystal Structure

General Information

  • Phase Label(s): K0.01Na0.47Ba0.06Ti0.98Nb0.02Bi0.46O3 tet
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP10
  • Space Group: 100
  • Phase Prototype: (Na0.5Bi0.5)TiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.1548 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RB = 0.0758
  • Sample Detail(s): sample prepared from Bi2O3, Na2CO3, K2CO3, BaCO3, TiO2 rutile, Nb2O5, amounts of rhombohedral phase (70.87 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.01Na0.47Ba0.06Ti0.98Nb0.02Bi0.46O3
  • Alphabetic Formula: Ba0.06Bi0.46K0.01Na0.47Nb0.02O3Ti0.98
  • Published Formula: 0.92Bi1/2Na1/2TiO3-0.06BaTiO3-0.02K1/2Na1/2NbO3
  • Refined Formula: Ba0.06Bi0.46K0.01Na0.47Nb0.02O3Ti0.98
  • Wyckoff Sequence: 100,cba2
  • Z Formula Units: 2
  • Density: ρ = 5.93 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_1631339

  • 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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