Inorganic Solid Phases

1-x(BaMg1/3Ta2/3O3)-x(BaZrO3), x= 0.20 (BaMg0.3Zr0.1Ta0.6O3) Crystal Structure

General Information

  • Phase Label(s): BaMg0.3Zr0.1Ta0.6O3
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF40
  • Space Group: 225
  • Phase Prototype: BaBiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7A (determination of structural parameters), X-rays, synchrotron (determination of cell parameters), X-rays, synchrotron; λ = 0.06989 nm (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.068; wRP = 0.089
  • Sample Detail(s): sample prepared from BaCO3, MgO, Ta2O5, ZrO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaMg0.27Zr0.20Ta0.53O3
  • Alphabetic Formula: BaMg0.27O3Ta0.53Zr0.20
  • Published Formula: 1-x(BaMg1/3Ta2/3O3)-x(BaZrO3), x= 0.20
  • Refined Formula: BaMg0.26O3Ta0.54Zr0.20
  • Wyckoff Sequence: 225,ecba
  • Z Formula Units: 8
  • Density: ρ = 7.32 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_1811459

  • 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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