Inorganic Solid Phases

GaTa4Se1.47Te6.53 (Ta4GaTe4Se4, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ta4GaTe4Se4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF52
  • Space Group: 216
  • Phase Prototype: Mo4GaS8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide, telluride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 12 variables; I > 3σ(I), R = 0.0439; wR = 0.0597
  • Sample Detail(s): sample prepared from Ta, Se, Te, Ga, energy-dispersive X-ray analysis, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ta4GaTe6.53Se1.47
  • Alphabetic Formula: GaSe1.47Ta4Te6.53
  • Published Formula: GaTa4Se1.47Te6.53
  • Refined Formula: GaSe1.48Ta4Te6.52
  • Wyckoff Sequence: 216,e3a
  • Z Formula Units: 4
  • Density: ρ = 8.70 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1632116

  • 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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