Inorganic Solid Phases

(K0.49Ca0.42Na0.26)ZrSi3O9·2[(H2O)0.80(H3O)0.20] (K0.49Na0.26[H3O]0.4Ca0.42ZrSi3O9[H2O]1.6) Crystal Structure

General Information

  • Phase Label(s): K0.49Na0.26[H3O]0.4Ca0.42ZrSi3O9[H2O]1.6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): catapleiite H
  • Pearson Symbol: hP36
  • Space Group: 194
  • Phase Prototype: Na2ZrSi3O9[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 27 variables; 220 reflections; I > 2σ(I), R = 0.0608; wR = 0.1642
  • Sample Detail(s): catapleiite sample from Russia, Kola Peninsula, Khibiny massif, sample prepared from catapleiite, KCl, electron microprobe analysis; cation ratio analyzed, single crystal (determination of cell parameters), single crystal, 0.08×0.20×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.49Na0.26[H3O]0.4Ca0.42ZrSi3O9[H2O]1.6
  • Alphabetic Formula: Ca0.42[H2O]1.6[H3O]0.4K0.49Na0.26O9Si3Zr
  • Published Formula: (K0.49Ca0.42Na0.26)ZrSi3O9·2[(H2O)0.80(H3O)0.20]
  • Refined Formula: Ca0.42H4.40K0.48Na0.27O11Si3Zr
  • Wyckoff Sequence: 194,kh2gfa
  • Z Formula Units: 2
  • Density: ρ = 2.83 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_1815533

  • 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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