Inorganic Solid Phases

(Na1.14K1.10Ca1.54Mg0.72)(Al6.76Si29.23O72)·20.64H2O (K0.55Na0.57Ca0.77Mg0.36Al3.38Si14.62O36[H2O]10.32) Crystal Structure

General Information

  • Phase Label(s): K0.55Na0.57Ca0.77Mg0.36Al3.38Si14.62O36[H2O]10.32
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): clinoptilolite-Ca/clinoptilolite-K,Na
  • Pearson Symbol: mS168
  • Space Group: 12
  • Phase Prototype: K0.55Na0.57Ca0.77Mg0.36(Al0.19Si0.81)18O36[H2O]10.32
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL (determination of structural parameters), X-rays, synchrotron; λ = 0.110023(1) nm (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, multiphase; 91 variables, RP = 0.056; wRP = 0.071; RB = 0.133
  • Sample Detail(s): clinoptilolite sample from Italy, Sardinia, Logudoro, sample prepared from clinoptilolite, electron microprobe analysis, thermogravimetry; (Na1.14K1.10Ca1.54Mg0.72)(Al6.76Si29.23O72)[H2O]20.64; amounts of cristobalite and quartz, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.55Na0.57Ca0.77Mg0.36Al3.38Si14.62O36[H2O]10.32
  • Alphabetic Formula: Al3.38Ca0.77[H2O]10.32K0.55Mg0.36Na0.57O36Si14.62
  • Published Formula: (Na1.14K1.10Ca1.54Mg0.72)(Al6.76Si29.23O72)·20.64H2O
  • Refined Formula: Al3.38Ca0.86H26.84K0.64Mg0.26Na0.66O49.42Si14.62
  • Wyckoff Sequence: 12,j14i11hgba
  • Z Formula Units: 2
  • Density: ρ = 2.11 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_1601665

  • 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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