Inorganic Solid Phases

(1-x)Na_0.5Bi_0.5TiO₃-(x)CaTiO₃, x= 0.6 (Na_0.45Ca_0.10TiBi_0.45O₃ orth) Crystal Structure

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General Information

Phase Label(s): Na_0.45Ca_0.10TiBi_0.45O₃ orth
Structure Class(es): perovskite
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP20
Space Group: 62
Phase Prototype: GdFeO₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.1548 nm (determination of cell and structural parameters), T = 295 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
Sample Detail(s): sample prepared from Na₂CO₃, Bi₂O₃, CaCO₃, TiO₂ rutile, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Na_0.2Ca_0.6TiBi_0.2O₃
Alphabetic Formula: Bi_0.2Ca_0.6Na_0.2O₃Ti
Published Formula: (1-x)Na_0.5Bi_0.5TiO₃-(x)CaTiO₃, x= 0.6
Refined Formula: Bi_0.20Ca_0.60Na_0.20O₃Ti
Wyckoff Sequence: 62,dc²a
Z Formula Units: 4
Density: ρ = 4.86 Mg·m⁻³

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Citation

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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Displacement Parameters

Isotropic

Site	Published B [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	β₁₁ [nm²]	β₂₂ [nm²]	β₃₃ [nm²]	β₁₂ [nm²]	β₁₃ [nm²]	β₂₃ [nm²]
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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_1824935

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 (1-x)Na0.5Bi0.5TiO3-(x)CaTiO3, x= 0.6 (Na0.45Ca0.10TiBi0.45O3 orth) Crystal Structure sd_1824935 (Springer-Verlag GmbH, Heidelberg, © 2016)

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(1-x)Na0.5Bi0.5TiO3-(x)CaTiO3, x= 0.6 (Na0.45Ca0.10TiBi0.45O3 orth) Crystal Structure

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General Information

Substance Summary

Cite this page

Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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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

Cite this content

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(1-x)Na_0.5Bi_0.5TiO₃-(x)CaTiO₃, x= 0.6 (Na_0.45Ca_0.10TiBi_0.45O₃ orth) Crystal Structure