Inorganic Solid Phases

Li(Ni0.4Co0.2−yMyMn0.4)O2, y= 0.05 (M= Al) (LiMn0.3Co0.3Ni0.3Al0.1O2) Crystal Structure

General Information

  • Phase Label(s): LiMn0.3Co0.3Ni0.3Al0.1O2
  • 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. New Mexico, Los Alamos Neutron Science Center, Manuel Lujan Neutron Scattering Facility, NPDF (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons, time-of-flight (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.0446
  • Sample Detail(s): sample prepared from LiNO3, Mn[NO3]2, Co[NO3]2[H2O]6, Ni[NO3]2[H2O]6, HNO3, glycine, Al[NO3]3[H2O]9, inductive coupled plasma method; composition confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LiMn0.40Co0.15Ni0.40Al0.05O2
  • Alphabetic Formula: Al0.05Co0.15LiMn0.40Ni0.40O2
  • Published Formula: Li(Ni0.4Co0.2−yMyMn0.4)O2, y= 0.05 (M= Al)
  • Refined Formula: Al0.05Co0.15Li0.93Mn0.40Ni0.47O2
  • Wyckoff Sequence: 166,cba
  • Z Formula Units: 3
  • Density: ρ = 4.62 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_1629453

  • 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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