Inorganic Solid Phases

(Ca1.1Na0.4K0.7)[Si8.6Al3.4O24]·14.4H2O, partly dehydrated (K0.7Na0.4Ca1.1Al3.3Si8.7O24[H2O]14.4, T = 573 K) Crystal Structure

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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; 26 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 573 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, full-matrix least-squares refinement; 43 variables; 442 reflections; I > 2σ(I), R = 0.0412
  • Sample Detail(s): chabazite sample from United Kingdom, Scotland, Skye Island, Talisker Bay, sample prepared from chabazite, electron microprobe analysis, thermogravimetry; K0.7(1)Na0.37(7)Ca1.08(3)Al3.39(6)Si8.64(3)O24[H2O]x, single crystal (determination of cell parameters), single crystal, 0.14×0.14×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.7Na0.4Ca1.1Al3.3Si8.7O24[H2O]1.8
  • Alphabetic Formula: Al3.3Ca1.1[H2O]1.8K0.7Na0.4O24Si8.7
  • Published Formula: (Ca1.1Na0.4K0.7)[Si8.6Al3.4O24]·14.4H2O, partly dehydrated
  • Refined Formula: Al3.30Ca1.12K0.87O24Si8.70
  • Wyckoff Sequence: 166,ih3gfca
  • Z Formula Units: 3
  • Density: ρ = 1.72 Mg·m−3
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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_1603063

  • 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)

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