Inorganic Solid Phases

K8Li0.5Ge43.8751.625 (K4Li0.5Ge21.88) Crystal Structure

General Information

  • Phase Label(s): K4Li0.5Ge21.88
  • Structure Class(es): clathrate
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP54
  • Space Group: 223
  • Phase Prototype: Na4Si23
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; STOE STADI MP (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154056 nm (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 = 0.057; RB = 0.038
  • Sample Detail(s): sample prepared from K4Ge9, LiGe, Ge, inductive coupled plasma method; 8.59 wt.% K, 0.105 wt.% Li, 89.1 wt.% Ge, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K4Li0.25Ge21.94
  • Alphabetic Formula: Ge21.94K4Li0.25
  • Published Formula: K8Li0.5Ge43.8751.625
  • Refined Formula: Ge22.07K4
  • Wyckoff Sequence: 223,kidca
  • Z Formula Units: 2
  • Density: ρ = 4.75 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_1022293

  • 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