Inorganic Solid Phases

KxTi2−x/3Lix/3O4; K0.8Ti1.733Li0.267O4·0.112H2O (K0.8Li0.267Ti1.733O4[H2O]0.112) Crystal Structure

General Information

  • Phase Label(s): K0.8Li0.267Ti1.733O4[H2O]0.112
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS24
  • Space Group: 63
  • Phase Prototype: K0.8(Li0.13Ti0.87)2O4[H2O]0.11
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; MAC Science MXP3TZ (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0765; wRP = 0.1063; RB = 0.0153
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.8Li0.267Ti1.733O4[H2O]0.112
  • Alphabetic Formula: [H2O]0.112K0.8Li0.267O4Ti1.733
  • Published Formula: KxTi2−x/3Lix/3O4; K0.8Ti1.733Li0.267O4·0.112H2O
  • Refined Formula: H0.22K0.80Li0.27O4.11Ti1.73
  • Wyckoff Sequence: 63,fc4
  • Z Formula Units: 2
  • Density: ρ = 3.42 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_1923413

  • 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