Inorganic Solid Phases

K1−xTi2+xGa5−xO12, x= 0.22 (K0.78Ti2.22Ga4.78O12) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): K0.78Ti2.22Ga4.78O12
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP42
  • Space Group: 55
  • Phase Prototype: K0.78(Ti0.32Ga0.68)7O12
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; F > 3σ(F), R = 0.035; wR = 0.028
  • Sample Detail(s): sample prepared from K2CO3-MoO3/TiO2/Ga2O3, chemical analysis; composition determined as K0.78Ti2.22Ga4.78O12, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.78Ti2.22Ga4.78O12
  • Alphabetic Formula: Ga4.78K0.78O12Ti2.22
  • Published Formula: K1−xTi2+xGa5−xO12, x= 0.22
  • Refined Formula: Ga4.80K0.80O12Ti2.20
  • Wyckoff Sequence: 55,h4g5ed
  • Z Formula Units: 2
  • Density: ρ = 4.87 Mg·m−3
View 3D Interactive Structure

Cite this page

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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1420298

  • 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

    Download this citation

    Citation copied