Inorganic Solid Phases

(Mg0.67K0.52Ca0.48Na0.08Sr0.03)[(Al3.16Si8.89)O24]·9.68H2O; (Mg0.7K0.5Ca0.5Na0.1)[Al3Si9O24]·10H2O (K0.5Na0.1Ca0.5Mg0.7Al3Si9O24[H2O]9.7) Crystal Structure

General Information

  • Phase Label(s): K0.5Na0.1Ca0.5Mg0.7Al3Si9O24[H2O]9.7
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s): chabazite-Mg
  • Pearson Symbol: hR249
  • Space Group: 166
  • Phase Prototype: K0.5Na0.1Ca0.5Mg0.7(Al0.25Si0.75)12O24[H2O]9.7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 67 variables; 1842 reflections, R = 0.0640; wR = 0.1709
  • Sample Detail(s): chabazite sample from Hungary, Transdanubia, Veszprem County, Balaton Highland, Praga Hill, electron microprobe analysis; (Mg0.67K0.52Ca0.48Na0.08Sr0.03)[(Al3.16Si8.89)O24][H2O]9.68, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.5Na0.1Ca0.5Mg0.7Al3Si9O24[H2O]9.7
  • Alphabetic Formula: Al3Ca0.5[H2O]9.7K0.5Mg0.7Na0.1O24Si9
  • Published Formula: (Mg0.67K0.52Ca0.48Na0.08Sr0.03)[(Al3.16Si8.89)O24]·9.68H2O; (Mg0.7K0.5Ca0.5Na0.1)[Al3Si9O24]·10H2O
  • Refined Formula: Al3.12Ca0.35H19.32K0.52Mg0.66O33.66Si8.88
  • Wyckoff Sequence: 166,i2h6gf2dc
  • Z Formula Units: 3
  • Density: ρ = 1.96 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1225026

  • 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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