Inorganic Solid Phases

Ba8Au5.33Ge40.67 (Ba4Au3Ge20) Crystal Structure

General Information

  • Phase Label(s): Ba4Au3Ge20
  • Structure Class(es): clathrate
  • Classification by Properties: semiconductor
  • Mineral Name(s):
  • Pearson Symbol: cP54
  • Space Group: 223
  • Phase Prototype: Na4Si23
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0260; wRP = 0.0378
  • Sample Detail(s): sample prepared from Ba, Au, Ge, electron microprobe analysis; Ba8.00(4)Au5.47(2)Ge39.96(4), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba4Au2.67Ge20.33
  • Alphabetic Formula: Au2.67Ba4Ge20.33
  • Published Formula: Ba8Au5.33Ge40.67
  • Refined Formula: Au2.65Ba4Ge20.35
  • Wyckoff Sequence: 223,kidca
  • Z Formula Units: 2
  • Density: ρ = 6.72 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_1141626

  • 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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