Inorganic Solid Phases

Cs3.8Ca1.2Al6.1Si29.7O72·19H2O (Cs1.9Ca0.6Al3.1Si14.9O36[H2O]9.5) Crystal Structure

General Information

  • Phase Label(s): Cs1.9Ca0.6Al3.1Si14.9O36[H2O]9.5
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS144
  • Space Group: 12
  • Phase Prototype: Cs1.9Ca0.6(Al0.17Si0.83)18O36[H2O]9.5
  • Measurement Detail(s): automatic diffractometer; 6 (determination of cell parameters), automatic diffractometer; Picker (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; 957 reflections; I > 3σ(I), R = 0.057
  • Sample Detail(s): sample prepared from clinoptilolite, CsCl, electron microprobe analysis; 58.39 wt.% SiO2, 10.12 wt.% Al2O3, 2.25 wt.% CaO, 17.26 wt.% Cs2O et al., single crystal (determination of cell parameters), single crystal, 0.05×0.34×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs1.9Ca0.6Al3.1Si14.9O36[H2O]9.5
  • Alphabetic Formula: Al3.1Ca0.6Cs1.9[H2O]9.5O36Si14.9
  • Published Formula: Cs3.8Ca1.2Al6.1Si29.7O72·19H2O
  • Refined Formula: Al3.06Ca0.48Cs1.51H14.56O43.28Si14.94
  • Wyckoff Sequence: 12,j13i8hg
  • Z Formula Units: 2
  • Density: ρ = 2.41 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616479

  • 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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