Inorganic Solid Phases

Na0.3K0.2Ca2.7Al6.2Si17.9O48·16H2O (Ca1.55Al3.1Si8.9O24[H2O]8) Crystal Structure

General Information

  • Phase Label(s): Ca1.55Al3.1Si8.9O24[H2O]8
  • Structure Class(es): zeolite EPI
  • Classification by Properties:
  • Mineral Name(s): epistilbite
  • Pearson Symbol: aP48
  • Space Group: 1
  • Phase Prototype: Ca1.55(Al0.26Si0.74)12O24[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 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; 413 variables; 8114 reflections; I > 4σ(I), R = 0.0383; wR = 0.0471
  • Sample Detail(s): epistilbite sample from Switzerland, Valais (Wallis), Binntal, Lengenbach, electron microprobe analysis; Na0.30K0.19Ca2.66Al6.15Si17.94O48[H2O]16, single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.55Al3.1Si8.9O24[H2O]8
  • Alphabetic Formula: Al3.1Ca1.55[H2O]8O24Si8.9
  • Published Formula: Na0.3K0.2Ca2.7Al6.2Si17.9O48·16H2O
  • Refined Formula: Al3.12Ca1.53H16O32Si8.88
  • Wyckoff Sequence: 1,a48
  • Z Formula Units: 1
  • Density: ρ = 2.27 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1005021

  • 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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