Inorganic Solid Phases

(K0.47Na0.51Li0.03)Nb0.97O3.01 (K0.47Na0.50Li0.03NbO3 rt, T = 12 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): K0.47Na0.50Li0.03NbO3 rt
  • Structure Class(es): –
  • Classification by Properties: ferroelectric FE, nonmetal, piezoelectric
  • Mineral Name(s): –
  • Pearson Symbol: oS10
  • Space Group: 38
  • Phase Prototype: BaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, HASYLAB, DORIS III reactor, B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.06880 nm (determination of cell and structural parameters), T = 12 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; 35 variables, RP = 0.0719; wRP = 0.0925
  • Sample Detail(s): sample prepared from K2CO3, Na2CO3, Li2CO3, Nb2O5, inductive coupled plasma method; Li0.03136Na0.51369K0.47346Nb0.97041O3.01034, trace amounts of Zr, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.47Na0.50Li0.03NbO3
  • Alphabetic Formula: K0.47Li0.03Na0.50NbO3
  • Published Formula: (K0.47Na0.51Li0.03)Nb0.97O3.01
  • Refined Formula: K0.47Li0.03Na0.50Nb0.97O3Zr0
  • Wyckoff Sequence: 38,db2a
  • Z Formula Units: 2
  • Density: ρ = 4.51 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1932741

  • 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

    Download this citation

    Citation copied