Inorganic Solid Phases

LixMn3−xO4, x= 0.90 (Li0.95Mn2.05O4 lt) Crystal Structure

General Information

  • Phase Label(s): Li0.95Mn2.05O4 lt
  • Structure Class(es): spinel family
  • Classification by Properties: antiferromagnet AFM, nonmetal, polaron conductor
  • Mineral Name(s):
  • Pearson Symbol: tI28
  • Space Group: 141
  • Phase Prototype: CdMn2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Huber G670 (determination of structural parameters), X-rays, synchrotron; λ = 0.12722 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): sample prepared from Mn[NO3]2[H2O]6, C6H8O7[H2O] (citric acid monohydrate), ammonia, atomic emission spectroscopy; composition confirmed; multi-phase sample, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.9Mn2.1O4
  • Alphabetic Formula: Li0.9Mn2.1O4
  • Published Formula: LixMn3−xO4, x= 0.90
  • Refined Formula: Li0.92Mn2.08O4
  • Wyckoff Sequence: 141,hcb
  • Z Formula Units: 4
  • Density: ρ = 4.36 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_1522356

  • 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)

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