Inorganic Solid Phases

(K0.37Na0.52Li0.03)(Nb0.87Ta0.1Sb0.03)O3 (K0.37Na0.52Li0.03Ta0.1Nb0.87Sb0.03O3 ht2, T = 633 K) Crystal Structure

General Information

  • Phase Label(s): K0.37Na0.52Li0.03Ta0.1Nb0.87Sb0.03O3 ht2
  • Structure Class(es): perovskite
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, HASYLAB, DORIS III reactor, B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.06881 nm (determination of structural parameters), T = 633 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 24 variables, RP = 0.0731; wRP = 0.067
  • Sample Detail(s): sample prepared from K2CO3, Na2CO3, Li2CO3, Nb2O5, Ta2O5, Sb2O3 (valentinite), atomic emission spectroscopy, inductive coupled plasma method; Li0.0317Na0.515K0.372Nb0.867Sb0.028Ta0.105Zr0.0017O3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.37Na0.52Li0.03Ta0.1Nb0.87Sb0.03O3
  • Alphabetic Formula: K0.37Li0.03Na0.52Nb0.87O3Sb0.03Ta0.1
  • Published Formula: (K0.37Na0.52Li0.03)(Nb0.87Ta0.1Sb0.03)O3
  • Refined Formula: K0.37Li0.03Na0.52Nb0.87O3Sb0.03Ta0.10
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 4.68 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1719055

  • 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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