Inorganic Solid Phases

Ba_1.07Ti₈O₁₆ (Ba_0.54Ti₄O₈ ht, T = 500 K) Crystal Structure

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General Information

Phase Label(s): Ba_0.54Ti₄O₈ ht
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): redledgeite
Pearson Symbol: tI28
Space Group: 87
Phase Prototype: Ba(Ti_0.67Al_0.33)₄O₈
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.159327 nm (determination of cell and structural parameters), T = 500 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, wR_P = 0.072; R_B = 0.021
Sample Detail(s): sample prepared from BaCO₃, TiO₂ rutile, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ba_0.66Ti₄O₈
Alphabetic Formula: Ba_0.66O₈Ti₄
Published Formula: Ba_1.07Ti₈O₁₆
Refined Formula: Ba_0.66O₈Ti₄
Wyckoff Sequence: 87,h³e
Z Formula Units: 2
Density: ρ = 4.45 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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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_1002402

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 Ba1.07Ti8O16 (Ba0.54Ti4O8 ht, T = 500 K) Crystal Structure sd_1002402 (Springer-Verlag GmbH, Heidelberg, © 2016)

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