Inorganic Solid Phases

Li0.5Ni0.35Mn0.3Co0.35O2 (LiMn0.33Co0.33Ni0.33O2 rt, T = 483 K) Crystal Structure

General Information

  • Phase Label(s): LiMn0.33Co0.33Ni0.33O2 rt
  • 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; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source (determination of structural parameters), X-rays, synchrotron; λ = 0.0414 nm (determination of cell and structural parameters), T = 483 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, wRP = 0.0564
  • Sample Detail(s): sample prepared from CH3COOLi[H2O]2, (CH3COO)2Ni[H2O]4, (CH3COO)2Mn[H2O]4, (CH3COO)2Co[H2O]4, citric acid (C6H8O7[H2O]), inductive coupled plasma method; Li/Ni/Mn/Co ratio 4.9/3.5/3/3.5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.5Mn0.3Co0.35Ni0.35O2
  • Alphabetic Formula: Co0.35Li0.5Mn0.3Ni0.35O2
  • Published Formula: Li0.5Ni0.35Mn0.3Co0.35O2
  • Refined Formula: Co0.35Li0.50Mn0.30Ni0.35O2
  • Wyckoff Sequence: 166,c2ba
  • Z Formula Units: 3
  • Density: ρ = 4.65 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

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1643824

  • 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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