Inorganic Solid Phases

0.8FeTiO₃·0.2Fe₂O₃ (TiFeO₃) Crystal Structure

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General Information

Phase Label(s): TiFeO₃
Structure Class(es): –
Classification by Properties: antiferromagnet AFM, ferromagnet FM, intermediate valence, nonmetal, spin glass
Mineral Name(s): ilmenite
Pearson Symbol: hR30
Space Group: 148
Phase Prototype: TiFeO₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 293 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, wR_P = 0.0260
Sample Detail(s): sample prepared from TiO₂ rutile, Fe₂O₃ (hematite), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ti_0.8Fe_1.2O₃
Alphabetic Formula: Fe_1.2O₃Ti_0.8
Published Formula: 0.8FeTiO₃·0.2Fe₂O₃
Refined Formula: Fe_1.20O₃Ti_0.80
Wyckoff Sequence: 148,fc²
Z Formula Units: 6
Density: ρ = 4.89 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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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_1215229

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 0.8FeTiO3·0.2Fe2O3 (TiFeO3) Crystal Structure sd_1215229 (Springer-Verlag GmbH, Heidelberg, © 2016)

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