Inorganic Solid Phases

Li1.2Mn0.4Ni0.3Co0.1O2 (Li1.8Mn0.85Co0.10Ni0.25O3) Crystal Structure

General Information

  • Phase Label(s): Li1.8Mn0.85Co0.10Ni0.25O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS24
  • Space Group: 12
  • Phase Prototype: Li2MnO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, SUNY, X3B1 (determination of structural parameters), X-rays, synchrotron; λ = 0.065 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.070; wRP = 0.0961
  • Sample Detail(s): sample prepared from Li nitrate, Mn nitrate, Ni nitrate, Co nitrate, X-ray fluorescence spectroscopy; Mn/Ni/Co ratio 48.1/38.7/13.1, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li3.6Mn1.2Co0.3Ni0.9O6
  • Alphabetic Formula: Co0.3Li3.6Mn1.2Ni0.9O6
  • Published Formula: Li1.2Mn0.4Ni0.3Co0.1O2
  • Refined Formula: Co0.33Li3.50Mn1.21Ni0.97O6
  • Wyckoff Sequence: 12,jihgcb
  • Z Formula Units: 2
  • Density: ρ = 4.23 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_1216749

  • 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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