Inorganic Solid Phases

Tl0.72V6Se6.45P1.55 (Tl0.36V3P0.775Se3.225) Crystal Structure

General Information

  • Phase Label(s): Tl0.36V3P0.775Se3.225
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP16
  • Space Group: 176
  • Phase Prototype: Tl0.36V3(P0.78Se0.22)Se3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE AED2 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 19 variables; 360 reflections; F > 3σ(F), R = 0.0201; wR = 0.0184
  • Sample Detail(s): sample prepared from TlSe, VP, V3Se4, VSe, single crystal (determination of cell parameters), single crystal, 0.05×0.05×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Tl0.36V3P0.775Se3.225
  • Alphabetic Formula: P0.775Se3.225Tl0.36V3
  • Published Formula: Tl0.72V6Se6.45P1.55
  • Refined Formula: P0.77Se3.22Tl0.36V3
  • Wyckoff Sequence: 176,h2da
  • Z Formula Units: 2
  • Density: ρ = 6.28 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_1803362

  • 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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