Inorganic Solid Phases

Li_xMn_3−xO₄, x= 0.89 (Li_0.95Mn_2.05O₄ lt) Crystal Structure

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General Information

Phase Label(s): Li_0.95Mn_2.05O₄ lt
Structure Class(es): spinel family
Classification by Properties: antiferromagnet AFM, nonmetal, polaron conductor
Mineral Name(s): –
Pearson Symbol: tI28
Space Group: 141
Phase Prototype: CdMn₂O₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Huber G670 (determination of structural parameters), X-rays, synchrotron; λ = 0.12722 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement
Sample Detail(s): sample prepared from Mn[NO₃]₂[H₂O]₆, C₆H₈O₇[H₂O] (citric acid monohydrate), ammonia, atomic emission spectroscopy; composition confirmed; multi-phase sample, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Li_0.89Mn_2.11O₄
Alphabetic Formula: Li_0.89Mn_2.11O₄
Published Formula: Li_xMn_3−xO₄, x= 0.89
Refined Formula: Li_0.83Mn_2.17O₄
Wyckoff Sequence: 141,hcb
Z Formula Units: 4
Density: ρ = 4.37 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_1522348

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 LixMn3−xO4, x= 0.89 (Li0.95Mn2.05O4 lt) Crystal Structure sd_1522348 (Springer-Verlag GmbH, Heidelberg, © 2016)

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