Inorganic Solid Phases

Siusi clinoptilolite (K0.5Na0.2Ba0.03Sr0.03Ca0.84Mg0.25Al3Si15O36[H2O]12) Crystal Structure

General Information

  • Phase Label(s): K0.5Na0.2Ba0.03Sr0.03Ca0.84Mg0.25Al3Si15O36[H2O]12
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): clinoptilolite-Ca/clinoptilolite-Na
  • Pearson Symbol: mS148
  • Space Group: 12
  • Phase Prototype: K0.5Na0.2Ba0.03Sr0.03Ca0.84Mg0.25(Al0.75Si0.25)4Si14O36[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo 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; 1141 reflections; I > 2σ(I), R = 0.057; wR = 0.078
  • Sample Detail(s): clinoptilolite sample from Italy, Alps, Trentino-Alto Adige, Alpe di Siusi, chemical analysis; 62.29 wt.% SiO2, 13.81 wt.% Al2O3, 0.75 wt.% Fe2O3, 2.65 wt.% CaO, 0.50 wt.% SrO, 0.33 wt.% BaO, 0.14 wt.% MgO, 3.58 wt.% Na2O, 1.68 wt.% K2O, 14.20 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.02×0.10×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.5Na1.2Ba0.03Sr0.06Ca0.66Mg0.05Al3.3Si14.7O36[H2O]11
  • Alphabetic Formula: Al3.3Ba0.03Ca0.66[H2O]11K0.5Mg0.05Na1.2O36Si14.7Sr0.06
  • Published Formula: Siusi clinoptilolite
  • Refined Formula: Al1.80Ba0.04Ca0.93H23.12K0.70Mg0.07Na2.27O47.56Si16.20Sr0.09
  • Wyckoff Sequence: 12,j14i6hgda
  • Z Formula Units: 2
  • Density: ρ = 2.14 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_1923732

  • 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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