Inorganic Solid Phases

chabazite (Sr0.3Ca1.6Al3.8Si8.2O24[H2O]13) Crystal Structure

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General Information

  • Phase Label(s): Sr0.3Ca1.6Al3.8Si8.2O24[H2O]13
  • Structure Class(es): zeolite CHA
  • Classification by Properties: –
  • Mineral Name(s): chabazite-Ca
  • Pearson Symbol: hR186
  • Space Group: 166
  • Phase Prototype: Sr0.3Ca1.6(Al0.32Si0.68)12O24[H2O]13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Mo Kα (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; 578 reflections; I > 3σ(I), R = 0.071
  • Sample Detail(s): chabazite sample from Azerbaijan, electron microprobe analysis; [SiO2]47.9[Al2O3]18.9[CaO]7.6[SrO]3.0[Na2O]0.1[K2O]0.1[H2O]22.4, Ca1.4Sr0.3Al3.8Si8.2O24[H2O]13, single crystal (determination of cell parameters), single crystal, 0.3×0.3×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.3Ca1.6Al3.8Si8.2O24[H2O]13
  • Alphabetic Formula: Al3.8Ca1.6[H2O]13O24Si8.2Sr0.3
  • Published Formula: chabazite
  • Refined Formula: Al3.77Ca1.36H15.36O31.68Si8.23Sr0.29
  • Wyckoff Sequence: 166,i2h3gfec2a
  • Z Formula Units: 3
  • Density: ρ = 2.09 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1401977

  • 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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