Inorganic Solid Phases

Ge5Sb2(Te0.13Se0.87)8 (Ge0.7Sb0.2Te0.5Se0.5 ht) Crystal Structure

General Information

  • Phase Label(s): Ge0.7Sb0.2Te0.5Se0.5 ht
  • Structure Class(es): rocksalt family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF8
  • Space Group: 225
  • Phase Prototype: NaCl
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide, telluride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0267; wR = 0.0352
  • Sample Detail(s): sample prepared from Ge, Sb, Te, Se, energy-dispersive X-ray analysis; Ge33.4(6)Sb13.9(3)Te6.8(3)Se45.9(6), single crystal (determination of cell parameters), single crystal, 0.08×0.10×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ge0.625Sb0.25Te0.133Se0.867
  • Alphabetic Formula: Ge0.625Sb0.25Se0.867Te0.133
  • Published Formula: Ge5Sb2(Te0.13Se0.87)8
  • Refined Formula: Ge0.64Sb0.24Se0.87Te0.13
  • Wyckoff Sequence: 225,ba
  • Z Formula Units: 4
  • Density: ρ = 5.76 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_1031355

  • 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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