Inorganic Solid Phases

KCa(XeNaO6) (KNaCaXeO6) Crystal Structure

General Information

  • Phase Label(s): KNaCaXeO6
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI20
  • Space Group: 87
  • Phase Prototype: Sr2WNiO6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540598 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0356; wRP = 0.0489; RB = 0.0722
  • Sample Detail(s): sample prepared from Na4XeO6, KOH, NaOH, Ca[NO3]2[H2O]4, energy-dispersive X-ray analysis, inductive coupled plasma method; 13.67 wt.% K, 11.07 wt.% Ca, 6.22 wt.% Na; K/Ca/Xe/Na ratio 1.07/0.95/0.99/0.98, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KNaCaXeO6
  • Alphabetic Formula: CaKNaO6Xe
  • Published Formula: KCa(XeNaO6)
  • Refined Formula: CaKNaO6Xe
  • Wyckoff Sequence: 87,hedba
  • Z Formula Units: 2
  • Density: ρ = 4.06 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_1643996

  • 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

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