Inorganic Solid Phases

LiNi_0.5Mn_1.5O₄ (Li₂Mn₃NiO₈ cub2) Crystal Structure

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General Information

Phase Label(s): Li₂Mn₃NiO₈ cub2
Structure Class(es): spinel family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cP56
Space Group: 213
Phase Prototype: Li(Li_0.5Zn_0.5)₂Ge₃O₈
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.1546(3) nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase
Sample Detail(s): sample prepared from C₄H₆MnO₄[H₂O]₄, C₂H₇LiO₄, Ni(CH₃COO)₂, citric acid, ethylene glycol, inductive coupled plasma method; Li_1.00(2)Mn_1.5(3)Ni_0.5(1)O₄; amounts of Li_xNi_1−xO₂ phase (1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: LiMn_1.5Ni_0.5O₄
Alphabetic Formula: LiMn_1.5Ni_0.5O₄
Published Formula: LiNi_0.5Mn_1.5O₄
Refined Formula: LiMn_1.54Ni_0.46O₄
Wyckoff Sequence: 213,edc²a
Z Formula Units: 8
Density: ρ = 4.44 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_1931463

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 LiNi0.5Mn1.5O4 (Li2Mn3NiO8 cub2) Crystal Structure sd_1931463 (Springer-Verlag GmbH, Heidelberg, © 2016)

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