Inorganic Solid Phases

Yb0.5Ba7.5Ga16Ge30 (Ba3.75Yb0.25Ga8Ge15, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ba3.75Yb0.25Ga8Ge15
  • 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; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu 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; composition dependence studied, Rietveld refinement, RP = 0.0523; wRP = 0.0737
  • Sample Detail(s): sample prepared from Ge, Ga, Ba, Yb, electron microprobe analysis; Yb0.79Ba14.07Ga29.38Ge55.76, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba3.75Yb0.25Ga8Ge15
  • Alphabetic Formula: Ba3.75Ga8Ge15Yb0.25
  • Published Formula: Yb0.5Ba7.5Ga16Ge30
  • Refined Formula: Ba3.76Ga8.05Ge14.95Yb0.24
  • Wyckoff Sequence: 223,kidca
  • Z Formula Units: 2
  • Density: ρ = 5.86 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_1222278

  • 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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