Inorganic Solid Phases

KxBa1−xO2−d, x= 0.22, d= 0.14(4) (K0.5Ba0.5[O2]) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): K0.5Ba0.5[O2]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tI6
  • Space Group: 139
  • Phase Prototype: CaC2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, GEM (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 290 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): peroxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, multiphase
  • Sample Detail(s): sample prepared from Ba[NO3]2, KO2, inductive coupled plasma method; K0.22Ba0.78O2; amounts of KOH[H2O], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.22Ba0.78[O2]0.93
  • Alphabetic Formula: Ba0.78K0.22[O2]0.93
  • Published Formula: KxBa1−xO2−d, x= 0.22, d= 0.14(4)
  • Refined Formula: Ba0.78K0.22O1.86
  • Wyckoff Sequence: 139,ea
  • Z Formula Units: 2
  • Density: ρ = 4.83 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1638655

  • 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

    Download this citation

    Citation copied