Inorganic Solid Phases

Al3+,Ni2+, Fe3+ doped Li2Ti3O7; Li1.86Ti2.86Fe0.025Ni0.1Al0.025O6.825 (C-samples) (Li0.54Ti0.84Fe0.01Ni0.03Al0.01C0.11O2) Crystal Structure

General Information

  • Phase Label(s): Li0.54Ti0.84Fe0.01Ni0.03Al0.01C0.11O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP20
  • Space Group: 62
  • Phase Prototype: Li0.54Ti0.84Fe0.01Ni0.03Al0.01C0.11O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips (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, Rietveld refinement, RB = 0.0296
  • Sample Detail(s): sample prepared from Li2CO3, TiO2 rutile, Fe2O3 (hematite), NiO, Al2O3, sucrose, inductive coupled plasma method, X-ray fluorescence spectroscopy; 1.185 wt.% C; amounts of Li4Ti5O12, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.54Ti0.84Fe0.01Ni0.03Al0.01C0.11O2
  • Alphabetic Formula: Al0.01C0.11Fe0.01Li0.54Ni0.03O2Ti0.84
  • Published Formula: Al3+,Ni2+, Fe3+ doped Li2Ti3O7; Li1.86Ti2.86Fe0.025Ni0.1Al0.025O6.825 (C-samples)
  • Refined Formula: C0.11Li0.24O2Ti0.86
  • Wyckoff Sequence: 62,c5
  • Z Formula Units: 4
  • Density: ρ = 3.77 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_1931431

  • 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