Inorganic Solid Phases

Bi₃Ta_0.5Nb_0.5O₇ (Ta_0.125Nb_0.125Bi_0.75O_1.75, T = 1073 K) Crystal Structure

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General Information

Phase Label(s): Ta_0.125Nb_0.125Bi_0.75O_1.75
Structure Class(es): fluorite family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF60
Space Group: 225
Phase Prototype: (Ta_0.21Bi_0.79)O_1.71
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 1073 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): average structure determined; temperature dependence studied, Rietveld refinement, R_P = 0.0257; wR_P = 0.0126
Sample Detail(s): sample prepared from Bi₂O₃, Nb₂O₅, Ta₂O₅, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ta_0.125Nb_0.125Bi_0.75O_1.75
Alphabetic Formula: Bi_0.75Nb_0.125O_1.75Ta_0.125
Published Formula: Bi₃Ta_0.5Nb_0.5O₇
Refined Formula: Bi_0.75Nb_0.13O_1.75Ta_0.13
Wyckoff Sequence: 225,fda
Z Formula Units: 4
Density: ρ = 8.71 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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Displacement Parameters

Isotropic

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

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1128839

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 Bi3Ta0.5Nb0.5O7 (Ta0.125Nb0.125Bi0.75O1.75, T = 1073 K) Crystal Structure sd_1128839 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Bi3Ta0.5Nb0.5O7 (Ta0.125Nb0.125Bi0.75O1.75, T = 1073 K) 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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Bi₃Ta_0.5Nb_0.5O₇ (Ta_0.125Nb_0.125Bi_0.75O_1.75, T = 1073 K) Crystal Structure