Inorganic Solid Phases

H3OSbTeO6 ([H3O]0.5Sb0.5Te0.5O3, T = 50 K) Crystal Structure

General Information

  • Phase Label(s): [H3O]0.5Sb0.5Te0.5O3
  • Structure Class(es): pyrochlore family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF96
  • Space Group: 227
  • Phase Prototype: Tl0.5Nb(O0.83F0.17)3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Berlin, Hahn-Meitner Institute, Berlin Neutron Scattering Center, BER II reactor, E9, FIREPOD (determination of structural parameters), neutrons; λ = 0.130782 nm (determination of cell and structural parameters), T = 50 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, wRP = 0.0239; RB = 0.0256
  • Sample Detail(s): sample prepared from KSbTeO6, mass change after combustion, X-ray fluorescence spectroscopy; 0.83(1) wt.% H; no K detected, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: [H3O]0.5Sb0.5Te0.5O3
  • Alphabetic Formula: [H3O]0.5O3Sb0.5Te0.5
  • Published Formula: H3OSbTeO6
  • Refined Formula: H1.50O3.50Sb0.50Te0.50
  • Wyckoff Sequence: 227,fec
  • Z Formula Units: 16
  • Density: ρ = 4.64 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]

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_1128822

  • 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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