Inorganic Solid Phases

(1-y)((1-x)Bi1/2Na1/2TiO3-xBi1/2K1/2TiO3)-yK0.5Na0.5NbO3, x= 0.1, y= 0.02 (K0.059Na0.451Ti0.98Nb0.02Bi0.49O3, T = 365 K) Crystal Structure

General Information

  • Phase Label(s): K0.059Na0.451Ti0.98Nb0.02Bi0.49O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR30
  • Space Group: 161
  • Phase Prototype: LiNbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.041395 nm (determination of cell and structural parameters), T = 365 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase; 27 variables, RP = 0.1020; wRP = 0.125
  • Sample Detail(s): sample prepared from Bi2O3, Na2CO3, K2CO3, TiO2, Nb2O5, amounts of cubic phase (87 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.059Na0.451Ti0.98Nb0.02Bi0.49O3
  • Alphabetic Formula: Bi0.49K0.059Na0.451Nb0.02O3Ti0.98
  • Published Formula: (1-y)((1-x)Bi1/2Na1/2TiO3-xBi1/2K1/2TiO3)-yK0.5Na0.5NbO3, x= 0.1, y= 0.02
  • Refined Formula: Bi0.49K0.06Na0.45Nb0.02O3Ti0.98
  • Wyckoff Sequence: 161,ba2
  • Z Formula Units: 6
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1720796

  • 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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