Inorganic Solid Phases

Ba8Ni5.8Ge40.2, Ba8Ni6−xGe40+x, x= 0.2 (Ba4Ni2Ge21, T = 120 K) Crystal Structure

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General Information

  • Phase Label(s): Ba4Ni2Ge21
  • Structure Class(es): clathrate
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cP54
  • Space Group: 223
  • Phase Prototype: Na4Si23
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.0481648 nm (determination of cell and structural parameters), T = 120 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, RP = 0.0162; wRP = 0.0234
  • Sample Detail(s): sample prepared from Ba6Ge25, Ni, Ge, trace amounts of NiGe and BaGe2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba4Ni2.9Ge20.1
  • Alphabetic Formula: Ba4Ge20.1Ni2.9
  • Published Formula: Ba8Ni5.8Ge40.2, Ba8Ni6−xGe40+x, x= 0.2
  • Refined Formula: Ba4Ge18.24Ni4.76
  • Wyckoff Sequence: 223,k2ica
  • Z Formula Units: 2
  • Density: ρ = 5.98 Mg·m−3
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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_1636686

  • 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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