Inorganic Solid Phases

Ca2.74K0.03Na0.44Mg0.05Al6.52Si17.57O48·15H2O (Na0.55Ca1.175Al2.9Si9.1O24[H2O]7.9) Crystal Structure

General Information

  • Phase Label(s): Na0.55Ca1.175Al2.9Si9.1O24[H2O]7.9
  • Structure Class(es): zeolite EPI
  • Classification by Properties:
  • Mineral Name(s): epistilbite
  • Pearson Symbol: mS96
  • Space Group: 12
  • Phase Prototype: Na0.55Ca1.175(Al0.24Si0.76)12O24[H2O]7.9
  • Measurement Detail(s): precession and Weissenberg photographs (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Cu Kα (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; 822 reflections, R = 0.15
  • Sample Detail(s): epistilbite sample from Iceland, Berufjördur, Teigarhorn, chemical analysis; Ca2.74Na0.44K0.03Mg0.05Al6.52Si17.57O48·15H2O; 57.00 wt.% SiO2, 17.99 wt.% Al2O3, 8.31 wt.% CaO, 0.20 wt.% K2O, 1.48 wt.% Na2O, 0.01 wt.% MgO, 0.06 wt.% SrO, 16.78 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.25Ca1.5Al3.25Si8.75O24[H2O]7.5
  • Alphabetic Formula: Al3.25Ca1.5[H2O]7.5Na0.25O24Si8.75
  • Published Formula: Ca2.74K0.03Na0.44Mg0.05Al6.52Si17.57O48·15H2O
  • Refined Formula: Al3.20Ca1.48H14.92O31.46Si8.80
  • Wyckoff Sequence: 5,c19b5a6
  • Z Formula Units: 2
  • Density: ρ = 2.26 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1415658

  • 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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