Inorganic Solid Phases

Na1.93(Cs10.48Rb0.31K0.04)(Al14.45Si33.97)O96·3.92H2O (Cs5.24Rb0.15K0.02Na0.97Al7.22Si16.99O48[H2O]1.96) Crystal Structure

General Information

  • Phase Label(s): Cs5.24Rb0.15K0.02Na0.97Al7.22Si16.99O48[H2O]1.96
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s): pollucite
  • Pearson Symbol: cI184
  • Space Group: 230
  • Phase Prototype: Na8(Al0.33Si0.67)24O48[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (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; 22 variables; 202 reflections; F > 4σ(F), R = 0.0234; wR = 0.0798
  • Sample Detail(s): pollucite sample from U.S.A. Maine, Oxford County, Buckfield, electron microprobe analysis, thermogravimetry; Na1.93(Cs10.48Rb0.31K0.04)(Al14.45Si33.97)O96[H2O]3.92, single crystal (determination of cell parameters), single crystal, 0.07×0.10×0.11 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs5.24Rb0.15K0.02Na0.97Al7.22Si16.99O48[H2O]1.96
  • Alphabetic Formula: Al7.22Cs5.24[H2O]1.96K0.02Na0.97O48Rb0.15Si16.99
  • Published Formula: Na1.93(Cs10.48Rb0.31K0.04)(Al14.45Si33.97)O96·3.92H2O
  • Refined Formula: Al8.16Cs5.42H5.15Na0.96O50.58Si15.84
  • Wyckoff Sequence: 230,hgcb
  • Z Formula Units: 2
  • Density: ρ = 2.86 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223798

  • 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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