Inorganic Solid Phases

K2Ba6Zn7Ge39 (K2Ba2Zn3Ge20) Crystal Structure

General Information

  • Phase Label(s): K2Ba2Zn3Ge20
  • Structure Class(es): clathrate
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP72
  • Space Group: 223
  • Phase Prototype: Sr4(Ga0.35Ge0.65)23-a
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HERMES (determination of structural parameters), neutrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0358; wRP = 0.0492
  • Sample Detail(s): sample prepared from Ba-Ge alloy, Zn, K, electron microprobe analysis; K1.9Ba6.6Zn6.9Ge38.7; amounts of Ge, Ba6Ge25 and BaZn2Ge2 (0.4, 0.5 and 0.2 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KBa3Zn3.5Ge19.5
  • Alphabetic Formula: Ba3Ge19.5KZn3.5
  • Published Formula: K2Ba6Zn7Ge39
  • Refined Formula: Ba3.10Ge19.47K0.90Zn3.53
  • Wyckoff Sequence: 223,kjida
  • Z Formula Units: 2
  • Density: ρ = 5.58 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_1128502

  • 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

    Citation copied