Inorganic Solid Phases

LiNi0.8(1−x)Co0.1Mn0.1Ca0.8xO2, x= 6% (LiCa0.048Mn0.1Co0.1Ni0.752O2) Crystal Structure

General Information

  • Phase Label(s): LiCa0.048Mn0.1Co0.1Ni0.752O2
  • Structure Class(es): rocksalt family
  • Classification by Properties:
  • 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. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.15403 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.0684
  • Sample Detail(s): sample prepared from LiOH[H2O], NiC4H6O4[H2O]4, MnC4H6O4[H2O]4, CoC4H6O4[H2O]4, Ca[NO3]2[H2O]4, inductive coupled plasma method; 1 at.% Li, 0.749 at.% Ni, 0.105 at.% Co, 0.101 at.% Mn, 0.043 at.% Ca, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiCa0.048Mn0.1Co0.1Ni0.752O2
  • Alphabetic Formula: Ca0.048Co0.1LiMn0.1Ni0.752O2
  • Published Formula: LiNi0.8(1−x)Co0.1Mn0.1Ca0.8xO2, x= 6%
  • Refined Formula: Ca0.05Co0.10LiMn0.10Ni0.75O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 5.05 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_1042335

  • 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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