Inorganic Solid Phases

0.5Li2MnO3-0.5LiMnxNixCo(1−2x)O2 [x= 5/12] (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; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3 reactor, HRPD (determination of structural parameters), neutrons, time-of-flight (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 = 0.0680; wRP = 0.0876
  • Sample Detail(s): sample prepared from LiCH3COO[H2O]2, Mn(CH3COO)2[H2O]4, Ni(CH3COO)2[H2O]4, Co(CH3COO)2[H2O]4, citric acid, inductive coupled plasma method, potentiometric titration, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li1.8Mn0.850Co0.100Ni0.250O3
  • Alphabetic Formula: Co0.100Li1.8Mn0.850Ni0.250O3
  • Published Formula: 0.5Li2MnO3-0.5LiMnxNixCo(1−2x)O2 [x= 5/12]
  • Refined Formula: Co0.10Li1.82Mn0.84Ni0.24O2.96
  • Wyckoff Sequence: 12,jihgcb
  • Z Formula Units: 4
  • Density: ρ = 4.22 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_1635622

  • 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