Inorganic Solid Phases

Ba8Ag6Ge40 (Ba4Ag3Ge20, T = 300 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ba4Ag3Ge20
  • Structure Class(es): clathrate
  • Classification by Properties: metal, semiconductor, thermoelectric
  • 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 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 715 reflections; F > 4σ(F), R = 0.0299; wR = 0.118
  • Sample Detail(s): sample prepared from Ba6Ge25, Ag, Ge, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba4Ag3Ge20
  • Alphabetic Formula: Ag3Ba4Ge20
  • Published Formula: Ba8Ag6Ge40
  • Refined Formula: Ag3.56Ba4Ge19.44
  • Wyckoff Sequence: 223,kidca
  • Z Formula Units: 2
  • Density: ρ = 6.05 Mg·m−3
View 3D Interactive Structure

Cite this page

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]

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_1930929

  • 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

    Download this citation

    Citation copied