Inorganic Solid Phases

Li_xNi_1/3Co_1/3Mn_1/3O₂, x= 0.49 (LiMn_0.33Co_0.33Ni_0.33O₂) Crystal Structure

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General Information

Phase Label(s): LiMn_0.33Co_0.33Ni_0.33O₂
Structure Class(es): rocksalt family
Classification by Properties: ionic conductor
Mineral Name(s): –
Pearson Symbol: hR12
Space Group: 166
Phase Prototype: NaFeO₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips X'Pert PRO MPD (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; composition dependence studied, Rietveld refinement, R_P = 0.0151; wR_P = 0.0190
Sample Detail(s): sample prepared from Li acetate, Ni acetate, Co acetate, Mn acetate, inductive coupled plasma method, iodometric titration; Li content determined; metal oxidation states determined, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Li_0.49Mn_0.333Co_0.333Ni_0.334O₂
Alphabetic Formula: Co_0.333Li_0.49Mn_0.333Ni_0.334O₂
Published Formula: Li_xNi_1/3Co_1/3Mn_1/3O₂, x= 0.49
Refined Formula: Co_0.33Li_0.49Mn_0.33Ni_0.33O₂
Wyckoff Sequence: 166,cba
Z Formula Units: 3
Density: ρ = 4.64 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_1817023

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 LixNi1/3Co1/3Mn1/3O2, x= 0.49 (LiMn0.33Co0.33Ni0.33O2) Crystal Structure sd_1817023 (Springer-Verlag GmbH, Heidelberg, © 2016)

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