Inorganic Solid Phases

Li1−xNi0.5Mn0.5O2, x= 0.6 (Li0.5Mn0.5Ni0.5O2) Crystal Structure

General Information

  • Phase Label(s): Li0.5Mn0.5Ni0.5O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS12
  • Space Group: 12
  • Phase Prototype: Li0.5Mn0.5Ni0.5O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.04998 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 = 0.0406; RB = 0.0222
  • Sample Detail(s): sample prepared from Ni[OH]2, Mn[OH]2, LiOH[H2O], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.4Mn0.5Ni0.5O2
  • Alphabetic Formula: Li0.4Mn0.5Ni0.5O2
  • Published Formula: Li1−xNi0.5Mn0.5O2, x= 0.6
  • Refined Formula: Li0.40Mn0.50Ni0.50O2
  • Wyckoff Sequence: 12,i2da
  • Z Formula Units: 2
  • Density: ρ = 4.51 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_1216119

  • 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