Inorganic Solid Phases

KLiSO4, phase II (KLi[SO4] ht1, T = 793 K) Crystal Structure

General Information

  • Phase Label(s): KLi[SO4] ht1
  • Structure Class(es):
  • Classification by Properties: ferroelastic FEL, ferroelectric FE, ionic conductor, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: oP44
  • Space Group: 62
  • Phase Prototype: Li[NH4][SO4]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Daejeon, Korea Atomic Energy Research Institute, HANARO reactor, HRPD (determination of structural parameters), neutrons; λ = 0.18348 nm (determination of cell and structural parameters), T = 793 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.0277; wRP = 0.0355
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KLi[SO4]
  • Alphabetic Formula: KLi[SO4]
  • Published Formula: KLiSO4, phase II
  • Refined Formula: KLiO4S
  • Wyckoff Sequence: 33,a7
  • Z Formula Units: 4
  • Density: ρ = 2.28 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220010

  • 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