Inorganic Solid Phases

(Ca1.32K0.45Na0.13Sr0.10)[Si8.55Al3.45O24]·11.30H2O (K0.45Na0.2Sr0.1Ca1.3Al3.45Si8.55O24[H2O]11.3) Crystal Structure

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General Information

  • Phase Label(s): K0.45Na0.2Sr0.1Ca1.3Al3.45Si8.55O24[H2O]11.3
  • Structure Class(es): zeolite CHA
  • Classification by Properties: –
  • Mineral Name(s): chabazite-Ca
  • Pearson Symbol: hR243
  • Space Group: 166
  • Phase Prototype: K0.45Na0.2Sr0.1Ca1.3(Al0.29Si0.71)12O24[H2O]11.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01A (determination of structural parameters), X-rays, synchrotron; λ = 0.07355 nm (determination of cell and structural parameters), p = 0.0001 GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement; 60 variables, RP = 0.0131; wRP = 0.0196
  • Sample Detail(s): chabazite-Ca sample from Canada, Nova Scotia, Two Islands, Wasson's Bluff, chemical analysis; Ca1.32K0.45Na0.13Sr0.10Si8.55Al3.45O24[H2O]11.30, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.45Na0.13Sr0.10Ca1.32Al3.45Si8.55O24[H2O]11.3
  • Alphabetic Formula: Al3.45Ca1.32[H2O]11.3K0.45Na0.13O24Si8.55Sr0.10
  • Published Formula: (Ca1.32K0.45Na0.13Sr0.10)[Si8.55Al3.45O24]·11.30H2O
  • Refined Formula: Al3.48Ca1.27H19.67K0.74Na0.21O33.84Si8.52Sr0.17
  • Wyckoff Sequence: 166,i2h5gf2dc3
  • Z Formula Units: 3
  • Density: ρ = 2.01 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_1141381

  • 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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