Inorganic Solid Phases

KLiSO4 I (KLi[SO4] lt3, T = 123(1) K) Crystal Structure

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General Information

  • Phase Label(s): KLi[SO4] lt3
  • Structure Class(es): –
  • Classification by Properties: ferroelastic FEL, ferroelectric FE, ionic conductor, nonmetal
  • Mineral Name(s): –
  • Pearson Symbol: oS40
  • Space Group: 36
  • Phase Prototype: KLi[SO4]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 123(1) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 53 variables; 310 reflections, R = 0.054; wR = 0.128
  • Sample Detail(s): sample prepared from K2SO4, LiSO4[H2O], inductive coupled plasma method, single crystal (determination of cell parameters), single crystal, 0.2×0.2×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi[SO4]
  • Alphabetic Formula: KLi[SO4]
  • Published Formula: KLiSO4 I
  • Refined Formula: KLiO4S
  • Wyckoff Sequence: 36,b3a4
  • Z Formula Units: 4
  • Density: ρ = 2.41 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1702004

  • 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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