Inorganic Solid Phases

(Ba0.01Sr0.03K0.08Na1.04Ca2.29)[Al5.80Si18.20O48]·15.8H2O (Na0.55Ca1.175Al2.9Si9.1O24[H2O]7.9, T = 323 K) 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): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, GILDA, BM08 (determination of structural parameters), X-rays, synchrotron; λ = 0.095337 nm (determination of cell and structural parameters), T = 323 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 76 variables; 826 reflections, RP = 0.0708; wRP = 0.0973
  • Sample Detail(s): epistilbite sample from Italy, Sardinia, Osilo, electron microprobe analysis, thermogravimetry; (Ba0.01Sr0.03K0.08Na1.04Ca2.29)[Al5.80Si18.20O48][H2O]15.8, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.55Ca1.175Al2.9Si9.1O24[H2O]7.9
  • Alphabetic Formula: Al2.9Ca1.175[H2O]7.9Na0.55O24Si9.1
  • Published Formula: (Ba0.01Sr0.03K0.08Na1.04Ca2.29)[Al5.80Si18.20O48]·15.8H2O
  • Refined Formula: Al2.90Ca0.98H15.44Na0.46O31.72Si9.10
  • Wyckoff Sequence: 12,j7i3h2g2fecb
  • Z Formula Units: 2
  • Density: ρ = 2.24 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1820788

  • 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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