Inorganic Solid Phases

K1.68Na1.8Ca1.16Mg0.25Al6.33Si29.81O72(H2O)20.1 (K0.8Na0.9Ca0.6Mg0.1Al3.1Si14.9O36[H2O]10, T = 623 K) Crystal Structure

General Information

  • Phase Label(s): K0.8Na0.9Ca0.6Mg0.1Al3.1Si14.9O36[H2O]10
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): clinoptilolite-Na
  • Pearson Symbol: aP67
  • Space Group: 2
  • Phase Prototype: K0.8Na0.9Ca0.6Mg0.1(Al0.17Si0.83)18O36[H2O]10
  • Measurement Detail(s): diffractometer (determination of cell parameters), diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 623 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2562 reflections; I > 2σ(I), R = 0.078
  • Sample Detail(s): clinoptilolite sample from U.S.A. California, Agoura, single crystal (determination of cell parameters), single crystal, 0.30×0.15×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na0.9Ca0.6Mg0.1Al3.1Si14.9O36[H2O]10
  • Alphabetic Formula: Al3.1Ca0.6[H2O]10K0.8Mg0.1Na0.9O36Si14.9
  • Published Formula: K1.68Na1.8Ca1.16Mg0.25Al6.33Si29.81O72(H2O)20.1
  • Refined Formula: Al3.15H1.46K0.77Na0.74O36.73Si14.85
  • Wyckoff Sequence: 2,i33a
  • Z Formula Units: 1
  • Density: ρ = 2.17 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_2090111

  • 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

    Citation copied