Inorganic Solid Phases

LixNi0.8Co0.2O2, x= 0.994 (LiCo0.5Ni0.5O2) Crystal Structure

General Information

  • Phase Label(s): LiCo0.5Ni0.5O2
  • Structure Class(es): rocksalt family
  • Classification by Properties: intercalation compound, ionic conductor, nonmetal, spin glass
  • Mineral Name(s):
  • Pearson Symbol: hR12
  • Space Group: 166
  • Phase Prototype: NaFeO2
  • Measurement Detail(s): automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3 reactor, HERMES (determination of structural parameters), neutrons (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0580; wRP = 0.0778
  • Sample Detail(s): sample prepared from LiOH[H2O], Ni[OH]2, CoO, inductive coupled plasma method; metal content analyzed: Li0.994(2)Ni0.798(1)Co0.202(3)O2, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.994Co0.2Ni0.8O2
  • Alphabetic Formula: Co0.2Li0.994Ni0.8O2
  • Published Formula: LixNi0.8Co0.2O2, x= 0.994
  • Refined Formula: Co0.20Li0.99Ni0.80O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 4.81 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1716954

  • 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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