Inorganic Solid Phases

Ba14Ge78; BaGe5.57 (Ba7Ge39); BaGe6−x (Ba7Ge39) Crystal Structure

General Information

  • Phase Label(s): Ba7Ge39
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS184
  • Space Group: 36
  • Phase Prototype: Ba7Ge39
  • Measurement Detail(s): automatic diffractometer; 4322 (determination of cell parameters), automatic diffractometer; Rigaku AFC7 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 295.0 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): commensurate approximant determined; refinement in superspace, full-matrix least-squares refinement; 217 variables; 4416 reflections; F > 5.9σ(F), R = 0.0386; wR = 0.0410
  • Sample Detail(s): sample prepared from Ba, Ge, energy-dispersive X-ray analysis, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba7Ge39
  • Alphabetic Formula: Ba7Ge39
  • Published Formula: Ba14Ge78; BaGe5.57 (Ba7Ge39); BaGe6−x
  • Refined Formula: Ba7Ge39
  • Wyckoff Sequence: 36,b20a6
  • Z Formula Units: 4
  • Density: ρ = 5.93 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1641301

  • 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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