Inorganic Solid Phases

Li3.4/3Mg0.3Ti4.7/3O4; Li(4−2x)/3MgxTi(5−x)/3O4, x= 0.3 (Li2MgTi3O8) Crystal Structure

General Information

  • Phase Label(s): Li2MgTi3O8
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP56
  • Space Group: 213
  • Phase Prototype: Li(Li0.5Zn0.5)2Ge3O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD Alpha-1 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0858; wRP = 0.1118
  • Sample Detail(s): sample prepared from Li2CO3, TiO2 rutile, MgCO3, amounts of spinel (48.20 mol.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li2.24Mg0.6Ti3.14O8
  • Alphabetic Formula: Li2.24Mg0.6O8Ti3.14
  • Published Formula: Li3.4/3Mg0.3Ti4.7/3O4; Li(4−2x)/3MgxTi(5−x)/3O4, x= 0.3
  • Refined Formula: Li2.40Mg0.40O8Ti3.10
  • Wyckoff Sequence: 213,edc2a
  • Z Formula Units: 4
  • Density: ρ = 3.49 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_1126508

  • 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