Inorganic Solid Phases

Zn_2−x/2Ti_1−xTa_xO₄, x= 0.16 (Zn_1.925Ti_0.85Ta_0.15O₄ cub) Crystal Structure

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General Information

Phase Label(s): Zn_1.925Ti_0.85Ta_0.15O₄ cub
Structure Class(es): spinel family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF56
Space Group: 227
Phase Prototype: MgAl₂O₄
Measurement Detail(s): automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), KENS, VEGA (determination of structural parameters), neutrons, time-of-flight (determination of structural parameters), T = 298 K (determination of structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, wR_P = 0.0349
Sample Detail(s): sample prepared from ZnO, TiO₂ rutile, Ta₂O₅, powder (determination of structural parameters)

Substance Summary

Standard Formula: Zn_1.92Ti_0.84Ta_0.16O₄
Alphabetic Formula: O₄Ta_0.16Ti_0.84Zn_1.92
Published Formula: Zn_2−x/2Ti_1−xTa_xO₄, x= 0.16
Refined Formula: O₄Ta_0.16Ti_0.84Zn_1.92
Wyckoff Sequence: 227,ecb
Z Formula Units: 8
Density: ρ = 5.62 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 B [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_1714451

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 Zn2−x/2Ti1−xTaxO4, x= 0.16 (Zn1.925Ti0.85Ta0.15O4 cub) Crystal Structure sd_1714451 (Springer-Verlag GmbH, Heidelberg, © 2016)

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