Inorganic Solid Phases

Ba1−xLaxTi1−xCrxO3, x= 0.640 (Ba0.5La0.5Ti0.5Cr0.5O3 cub) Crystal Structure

General Information

  • Phase Label(s): Ba0.5La0.5Ti0.5Cr0.5O3 cub
  • 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; Rigaku RINT (determination of structural parameters), X-rays, Fe Kα1; λ = 0.193604 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.022; wRP = 0.028
  • Sample Detail(s): sample prepared from La2O3, BaCO3, Cr2O3, TiO2 rutile, comparison of cell parameters, considering weight loss during preparation; Ba1−xLaxTi1−xCrxO3, x= 0.600; weight loss during preparation < 0.067 wt.%; amounts of rhombohedral Ba1−xLaxTi1−xCrxO3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.36La0.64Ti0.36Cr0.64O3
  • Alphabetic Formula: Ba0.36Cr0.64La0.64O3Ti0.36
  • Published Formula: Ba1−xLaxTi1−xCrxO3, x= 0.640
  • Refined Formula: Ba0.40Cr0.60La0.60O3Ti0.40
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 6.51 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_1713104

  • 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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