Inorganic Solid Phases

Li(Lix/3Ni3/8−3x/8Co1/4−x/4Mn3/8+7x/24)O2, x= 0.6, charged to 4.47 V (LiMn0.33Co0.33Ni0.33O2 rt) 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. Tennessee, Oak Ridge National Laboratory ORNL, SNS, BL-7, VULCAN (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase
  • Sample Detail(s): sample prepared from Li1.20Mn0.55Co0.10Ni0.15O2 cathode, Si (amorphous) anode, coulometry; LixMn0.55Co0.10Ni0.15O2, x= 0.434, bulk sample (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.434Mn0.550Co0.100Ni0.150O2
  • Alphabetic Formula: Co0.100Li0.434Mn0.550Ni0.150O2
  • Published Formula: Li(Lix/3Ni3/8−3x/8Co1/4−x/4Mn3/8+7x/24)O2, x= 0.6, charged to 4.47 V
  • Refined Formula: Co0.10Li0.43Mn0.55Ni0.15O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 4.01 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_1607572

  • 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

    Citation copied