Inorganic Solid Phases

(Ba0.92Ca0.08)(Zr0.05Ti0.95)O3 (Ba0.92Ca0.08Zr0.05Ti0.95O3 ht1, T = 308 K) Crystal Structure

General Information

  • Phase Label(s): Ba0.92Ca0.08Zr0.05Ti0.95O3 ht1
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP5
  • Space Group: 99
  • Phase Prototype: BaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; India, Indore, Raja Ramanna Centre for Advanced Technology, INDUS-2 reactor, BL-12, ADXRD (determination of structural parameters), X-rays, synchrotron; λ = 0.0885 nm (determination of cell and structural parameters), T = 308 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, multiphase, RP = 0.0558; wRP = 0.0810; RB = 0.0403
  • Sample Detail(s): sample prepared from BaCO3, CaCO3, ZrO2, TiO2, amounts of orthorhombic phase (37 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.92Ca0.08Zr0.05Ti0.95O3
  • Alphabetic Formula: Ba0.92Ca0.08O3Ti0.95Zr0.05
  • Published Formula: (Ba0.92Ca0.08)(Zr0.05Ti0.95)O3
  • Refined Formula: Ba0.92Ca0.08O3Ti0.95Zr0.05
  • Wyckoff Sequence: 99,cba2
  • Z Formula Units: 1
  • Density: ρ = 5.55 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_1641469

  • 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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