Inorganic Solid Phases

LiNi1/3Mn1/3Co1/3O2 in Li1.2Mn0.54Ni0.13Co0.13O2 (LiMn0.33Co0.33Ni0.33O2) Crystal Structure

General Information

  • Phase Label(s): LiMn0.33Co0.33Ni0.33O2
  • 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; Rigaku D/MAX-A (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.1393; wRP = 0.2040
  • Sample Detail(s): sample prepared from LiNO3, Mn[NO3]2[H2O]4, Ni[NO3]2[H2O]6, Co[NO3]2[H2O]6, inductive coupled plasma method; Li1.160Mn0.532Ni0.133Co0.135O2 for sample; amounts of Li2MnO3 (50 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiMn0.34Co0.33Ni0.33O2
  • Alphabetic Formula: Co0.33LiMn0.34Ni0.33O2
  • Published Formula: LiNi1/3Mn1/3Co1/3O2 in Li1.2Mn0.54Ni0.13Co0.13O2
  • Refined Formula: Co0.33LiMn0.34Ni0.34O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 4.80 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1142451

  • 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.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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