Inorganic Solid Phases

TlNbWO6 (Tl0.5Nb0.5W0.5O3 ht, T = 573 K) Crystal Structure

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General Information

  • Phase Label(s): Tl0.5Nb0.5W0.5O3 ht
  • 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; Russia, Obninsk, Karpov Institute of Physical Chemistry, VVR-Ts reactor (determination of structural parameters), neutrons; λ = 0.1167 nm (determination of cell and structural parameters), T = 573 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 99 reflections, R = 0.015
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 4 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Tl0.5Nb0.5W0.5O3
  • Alphabetic Formula: Nb0.5O3Tl0.5W0.5
  • Published Formula: TlNbWO6
  • Refined Formula: Nb0.50O3Tl0.50W0.50
  • Wyckoff Sequence: 227,fe2c
  • Z Formula Units: 16
  • Density: ρ = 6.81 Mg·m−3
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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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1001733

  • 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)

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