Inorganic Solid Phases

BaAu5.3Ge1.7, τ4' (Ba2Au10.6Ge3.4) Crystal Structure

General Information

  • Phase Label(s): Ba2Au10.6Ge3.4
  • Structure Class(es): clathrate
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP64
  • Space Group: 62
  • Phase Prototype: Ba2Au9(Au0.53Ge0.47)3Ge2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 93 variables; 1937 reflections; F > 4σ(F), R = 0.047; wR = 0.128
  • Sample Detail(s): sample prepared from Ba, Au, Ge, weight loss during preparation < 1 wt.%, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Au10.6Ge3.4
  • Alphabetic Formula: Au10.6Ba2Ge3.4
  • Published Formula: BaAu5.3Ge1.7, τ4'
  • Refined Formula: Au10.52Ba2Ge3.48
  • Wyckoff Sequence: 62,d4c8
  • Z Formula Units: 4
  • Density: ρ = 13.15 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1127686

  • 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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