Inorganic Solid Phases

Li_0.39Mn_1.98O₄ (Li_0.25Mn₂O₄) Crystal Structure

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General Information

Phase Label(s): Li_0.25Mn₂O₄
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; Rigaku RINT-TTR (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, wR_P = 0.1549; R_B = 0.0396
Sample Detail(s): sample prepared from Li_1.02Mn_1.98O₄, H₂SO₄, inductive coupled plasma method; Li/Mn ratio 0.199/1; amounts of spinel phase (89 wt.%), powder (determination of structural parameters)

Substance Summary

Standard Formula: Li_0.39Mn_1.98O₄
Alphabetic Formula: Li_0.39Mn_1.98O₄
Published Formula: Li_0.39Mn_1.98O₄
Refined Formula: Li_0.39Mn_1.98O₄
Wyckoff Sequence: 227,ecb
Z Formula Units: 8
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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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_1023355

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 Li0.39Mn1.98O4 (Li0.25Mn2O4) Crystal Structure sd_1023355 (Springer-Verlag GmbH, Heidelberg, © 2016)

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