Inorganic Solid Phases

(K1.33Na1.02Ca0.84)[Al4Si8O24]·12.17H2O (K0.7Na0.4Ca1.1Al3.3Si8.7O24[H2O]14.4, T = 193 K) Crystal Structure

General Information

  • Phase Label(s): K0.7Na0.4Ca1.1Al3.3Si8.7O24[H2O]14.4
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s): chabazite-Ca
  • Pearson Symbol: hR225
  • Space Group: 166
  • Phase Prototype: KCa0.51Mg0.67(Al0.28Si0.72)12O24[H2O]13.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 193 K (determination of cell and 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; 107 variables; 4745 reflections; I > 2σ(I), R = 0.0470; wR = 0.1177
  • Sample Detail(s): chabazite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis, thermogravimetry; composition determined as (K1.59Na0.88Ca0.85Sr0.14)(Al3.82Si8.02)O24[H2O]11.16, twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K1.3Na1.02Ca0.84Al4Si8O24[H2O]12.17
  • Alphabetic Formula: Al4Ca0.84[H2O]12.17K1.3Na1.02O24Si8
  • Published Formula: (K1.33Na1.02Ca0.84)[Al4Si8O24]·12.17H2O
  • Refined Formula: Al4Ca0.84H24.34K1.33Na1.02O36.17Si8
  • Wyckoff Sequence: 166,i2h7g2f2c4a
  • Z Formula Units: 3
  • Density: ρ = 2.09 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_1122187

  • 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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