Inorganic Solid Phases

LiNi0.6Co0.2Mn0.2−xMgxO2, x= 0.03 (LiMg0.1Mn0.33Co0.33Ni0.24O2) Crystal Structure

General Information

  • Phase Label(s): LiMg0.1Mn0.33Co0.33Ni0.24O2
  • 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; Rigaku RINT-2000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0876; wRP = 0.1167
  • Sample Detail(s): sample prepared from NiCl2[H2O]6, CoCl2[H2O]6, MnCl2[H2O]4, LiOH[H2O], MgCl2[H2O]6, inductive coupled plasma method; Li1.006Ni0.600Co0.200Mn0.169Mg0.03O2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiMg0.03Mn0.17Co0.2Ni0.6O2
  • Alphabetic Formula: Co0.2LiMg0.03Mn0.17Ni0.6O2
  • Published Formula: LiNi0.6Co0.2Mn0.2−xMgxO2, x= 0.03
  • Refined Formula: Co0.20LiMg0.03Mn0.17Ni0.60O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 4.72 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_1834644

  • 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