Inorganic Solid Phases

Si131.8P40.4Te21.5; Si129P43Te20.74 (Si32.5P10.5Te5.25) Crystal Structure

General Information

  • Phase Label(s): Si32.5P10.5Te5.25
  • Structure Class(es): clathrate
  • Classification by Properties: thermoelectric
  • Mineral Name(s):
  • Pearson Symbol: tP200
  • Space Group: 136
  • Phase Prototype: Si32.5P10.5Te5.25
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Forschungs-Neutronenquelle Heinz Maier-Leibnitz, FRM II reactor, SPODI (determination of structural parameters), neutrons; λ = 0.15475 nm (determination of cell and structural parameters), T = 295(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): telluride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.017; wRP = 0.022
  • Sample Detail(s): sample prepared from Si, P, Te, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Si32.95P10.1Te5.38
  • Alphabetic Formula: P10.1Si32.95Te5.38
  • Published Formula: Si131.8P40.4Te21.5; Si129P43Te20.74
  • Refined Formula: P10.72Si32.28Te5.18
  • Wyckoff Sequence: 136,k6j4i7gf2d
  • Z Formula Units: 4
  • Density: ρ = 3.43 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1126441

  • 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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