Inorganic Solid Phases

Ca2.1Mg0.3Na2.5K0.28Al8.0Si28.2O72·17.6H2O (K0.55Na0.57Ca0.77Mg0.36Al3.38Si14.62O36[H2O]10.32, T = 100 K) 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; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 100 K (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; 199 variables; 3672 reflections; I > 3σ(I), R = 0.0392; wR = 0.0411
  • Sample Detail(s): clinoptilolite sample from U.S.A. Oregon, Succor Creek, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.16×0.32×0.41 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.15Na1.25Ca1.05Mg0.15Al4Si14O36[H2O]8.8
  • Alphabetic Formula: Al4Ca1.05[H2O]8.8K0.15Mg0.15Na1.25O36Si14
  • Published Formula: Ca2.1Mg0.3Na2.5K0.28Al8.0Si28.2O72·17.6H2O
  • Refined Formula: Al3.96Ca1.03H17.64K0.10Mg0.28Na1.15O44.82Si14.04
  • Wyckoff Sequence: 12,j16i10hgba
  • Z Formula Units: 2
  • Density: ρ = 2.12 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1616906

  • 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