Inorganic Solid Phases

Ca3.57Mg0.01Sr0.05Ba0.06Na1.26K0.43[Al9.37Si26.70O72]·26.02H2O (K0.215Na0.63Ba0.03Sr0.025Ca1.785Mg0.005Al4.685Si13.35O36[H2O]13.01) Crystal Structure

General Information

  • Phase Label(s): K0.215Na0.63Ba0.03Sr0.025Ca1.785Mg0.005Al4.685Si13.35O36[H2O]13.01
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): heulandite-Ca
  • Pearson Symbol: mS142
  • Space Group: 12
  • Phase Prototype: K0.2Na0.85Ba0.02Sr0.45Ca1.33(Al0.26Si0.74)18O36[H2O]13.4
  • Measurement Detail(s): diffractometer (determination of cell parameters), Weissenberg photographs (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, full-matrix least-squares refinement, R = 0.096; wR = 0.102
  • Sample Detail(s): heulandite sample from (Italy, Modena, Modena University, Mineralogical Museum), chemical analysis; 57.17 wt.% SiO2, 17.03 wt.% Al2O3, 0.04 wt.% Fe2O3, 7.13 wt.% CaO, 0.19 wt.% SrO, 0.31 wt.% BaO, 0.02 wt.% MgO, 1.39 wt.% Na2O, 0.73 wt.% K2O, 16.71 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.18×0.38×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.215Na0.63Ba0.03Sr0.025Ca1.785Mg0.005Al4.685Si13.35O36[H2O]13.01
  • Alphabetic Formula: Al4.685Ba0.03Ca1.785[H2O]13.01K0.215Mg0.005Na0.63O36Si13.35Sr0.025
  • Published Formula: Ca3.57Mg0.01Sr0.05Ba0.06Na1.26K0.43[Al9.37Si26.70O72]·26.02H2O
  • Refined Formula: Al4.10Ba0.03Ca1.54H24.04K0.19Mg0Na0.54O48.02Si13.90Sr0.02
  • Wyckoff Sequence: 12,j13i6hg2a
  • Z Formula Units: 2
  • Density: ρ = 2.22 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_1926031

  • 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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