Inorganic Solid Phases

Na0.04K0.03Ca1.80Al3.63Si8.36O24·13.17H2O (Ca1.8Al3.6Si8.4O24[H2O]18) Crystal Structure

General Information

  • Phase Label(s): Ca1.8Al3.6Si8.4O24[H2O]18
  • Structure Class(es): zeolite CHA
  • Classification by Properties:
  • Mineral Name(s): chabazite-Ca
  • Pearson Symbol: hR246
  • Space Group: 166
  • Phase Prototype: Ca1.8(Al0.30Si0.70)12O24[H2O]13.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (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; 703 reflections; I > 3σ(I), R = 0.067; wR = 0.069
  • Sample Detail(s): sample prepared from Na-chabazite, electron microprobe analysis; Ca1.80Al3.63Si8.36O24[H2O]13.17, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.8Al3.6Si8.4O24[H2O]13
  • Alphabetic Formula: Al3.6Ca1.8[H2O]13O24Si8.4
  • Published Formula: Na0.04K0.03Ca1.80Al3.63Si8.36O24·13.17H2O
  • Refined Formula: Al3.60Ca1.76H19.74O33.87Si8.40
  • Wyckoff Sequence: 166,i2h5g2fec3a
  • Z Formula Units: 3
  • Density: ρ = 2.06 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_1613550

  • 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

    Citation copied