Inorganic Solid Phases

KTa1−xNbxO3, x= 0.45 (KTa0.81Nb0.19O3 rt) Crystal Structure

General Information

  • Phase Label(s): KTa0.81Nb0.19O3 rt
  • Structure Class(es): perovskite
  • Classification by Properties: ferroelectric FE, nonmetal, spin glass
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC8 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 7 variables, R = 0.0109; wR = 0.0249
  • Sample Detail(s): sample prepared from KOH, Ta2O5, Nb2O5, energy-dispersive X-ray analysis; KTa1−xNbxO3, x= 0.44, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KTa0.55Nb0.45O3
  • Alphabetic Formula: KNb0.45O3Ta0.55
  • Published Formula: KTa1−xNbxO3, x= 0.45
  • Refined Formula: KNb0.45O3Ta0.55
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 5.94 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_1829293

  • 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)

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