Inorganic Solid Phases

10 wt.% CaTiO₃ - 90 wt.% BaTiO₃; 15.6 at.% CaTiO₃ - 84.4 at.% BaTiO₃ (Ba_0.82Ca_0.18TiO₃ rt) Crystal Structure

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General Information

Phase Label(s): Ba_0.82Ca_0.18TiO₃ rt
Structure Class(es): perovskite
Classification by Properties: ferroelectric FE, nonmetal
Mineral Name(s): –
Pearson Symbol: tP5
Space Group: 99
Phase Prototype: BaTiO₃
Measurement Detail(s): Debye-Scherrer film (determination of cell parameters), X-rays, Cu Kα; λ = 0.1539 nm (determination of cell parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): cell parameters determined and type with fixed coordinates assigned; composition dependence studied
Sample Detail(s): sample prepared from CaTiO₃, BaTiO₃, powder (determination of cell parameters)

Substance Summary

Standard Formula: Ba_0.844Ca_0.156TiO₃
Alphabetic Formula: Ba_0.844Ca_0.156O₃Ti
Published Formula: 10 wt.% CaTiO₃ - 90 wt.% BaTiO₃; 15.6 at.% CaTiO₃ - 84.4 at.% BaTiO₃
Refined Formula: Ba_0.84Ca_0.16O₃Ti
Wyckoff Sequence: 221,dba
Z Formula Units: 1
Density: ρ = 5.84 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1721720

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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials 10 wt.% CaTiO3 - 90 wt.% BaTiO3; 15.6 at.% CaTiO3 - 84.4 at.% BaTiO3 (Ba0.82Ca0.18TiO3 rt) Crystal Structure sd_1721720 (Springer-Verlag GmbH, Heidelberg, © 2016)

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