Inorganic Solid Phases

K0.095TiO2 (K0.5Ti4O8) Crystal Structure

General Information

  • Phase Label(s): K0.5Ti4O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI26
  • Space Group: 87
  • Phase Prototype: K0.5Mn4O8
  • Measurement Detail(s): automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HERMES (determination of structural parameters), neutrons; λ = 0.18478 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0416; wRP = 0.0542; RB = 0.0133
  • Sample Detail(s): sample prepared from K2CO3, TiO2, amounts of TiO2 (1.22 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.38Ti4O8
  • Alphabetic Formula: K0.38O8Ti4
  • Published Formula: K0.095TiO2
  • Refined Formula: K0.38O8Ti4
  • Wyckoff Sequence: 87,h3a
  • Z Formula Units: 2
  • Density: ρ = 3.63 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1024470

  • 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

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