Inorganic Solid Phases

HTaWO6 (H0.5Ta0.5W0.5O3, T = 4 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): H0.5Ta0.5W0.5O3
  • Structure Class(es): pyrochlore family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF64
  • Space Group: 227
  • Phase Prototype: H0.5(Ta0.5W0.5)O3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.13885 nm (determination of cell and structural parameters), T = 4 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 37 reflections, R = 0.0638; wR = 0.0628
  • Sample Detail(s): sample prepared from HTaWO6[H2O], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.5Ta0.5W0.5O3
  • Alphabetic Formula: H0.5O3Ta0.5W0.5
  • Published Formula: HTaWO6
  • Refined Formula: H0.50O3Ta0.50W0.50
  • Wyckoff Sequence: 227,fc
  • Z Formula Units: 16
  • Density: ρ = 5.39 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1402436

  • 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