Inorganic Solid Phases

Li_0.6Ti_1.8Fe_0.6O₅ (Li_0.81Ti_2.09Fe_0.27O₅) Crystal Structure

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General Information

Phase Label(s): Li_0.81Ti_2.09Fe_0.27O₅
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oS36
Space Group: 63
Phase Prototype: Li_0.17(Li_0.64Ti_0.20Fe_0.16)(Ti_0.95Fe_0.05)₂O₅
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, wR_P = 0.143; R_B = 0.038
Sample Detail(s): sample prepared from TiO₂ rutile, Fe₂O₃ (hematite), Li₂CO₃, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Li_0.6Ti_1.8Fe_0.6O₅
Alphabetic Formula: Fe_0.6Li_0.6O₅Ti_1.8
Published Formula: Li_0.6Ti_1.8Fe_0.6O₅
Refined Formula: Fe_0.60Li_0.60O₅Ti_1.80
Wyckoff Sequence: 63,f³c²
Z Formula Units: 4
Density: ρ = 3.77 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_1804898

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 Li0.6Ti1.8Fe0.6O5 (Li0.81Ti2.09Fe0.27O5) Crystal Structure sd_1804898 (Springer-Verlag GmbH, Heidelberg, © 2016)

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