Inorganic Solid Phases

Na0.92K1.31Ca1.95Ba0.05Mg0.63Al7.10Si28.90O72·22.15H2O (K0.66Na0.46Ba0.02Ca0.92Mg0.3Al3.6Si14.4O36[H2O]11.1) Crystal Structure

General Information

  • Phase Label(s): K0.66Na0.46Ba0.02Ca0.92Mg0.3Al3.6Si14.4O36[H2O]11.1
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): clinoptilolite-Ca/clinoptilolite-Na
  • Pearson Symbol: mS122
  • Space Group: 12
  • Phase Prototype: K0.66Na0.46Ba0.02Ca0.92Mg0.3(Al0.20Si0.80)18O36[H2O]11.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (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, Rietveld refinement
  • Sample Detail(s): clinoptilolite sample from Ecuador, Guale, Rio Ayampe, thermogravimetry, X-ray fluorescence spectroscopy; Na0.92K1.31Ca1.95Ba0.05Mg0.63Al7.10Si28.90O72[H2O]22.15, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.66Na0.46Ba0.02Ca0.92Mg0.3Al3.6Si14.4O36[H2O]11.1
  • Alphabetic Formula: Al3.6Ba0.02Ca0.92[H2O]11.1K0.66Mg0.3Na0.46O36Si14.4
  • Published Formula: Na0.92K1.31Ca1.95Ba0.05Mg0.63Al7.10Si28.90O72·22.15H2O
  • Refined Formula: Al3.60Ba0.02Ca0.95K0.64Mg0.33Na0.46O36Si14.40
  • Wyckoff Sequence: 12,j12i4hga
  • 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
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_1223954

  • 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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