Inorganic Solid Phases

(Ca,Na2)Al2Si7O18·6H2O; heulandite (K0.2Na0.85Ba0.02Sr0.45Ca1.33Al4.65Si13.35O36[H2O]13.4) Crystal Structure

General Information

  • Phase Label(s): K0.2Na0.85Ba0.02Sr0.45Ca1.33Al4.65Si13.35O36[H2O]13.4
  • 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 = 0.087; wR = 0.093
  • Sample Detail(s): heulandite sample from (Italy, Modena, Modena University, Mineralogical Museum), chemical analysis; Ca3.57Mg0.01Sr0.05Ba0.06Na1.26K0.43(Al9.37Si26.70)[H2O]26.02, 0.04 wt.% Fe2O3, single crystal (determination of cell parameters), single crystal, 0.18×0.38×0.45 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.25Na0.7Ba0.02Sr0.03Ca1.8Al4.65Si13.35O36[H2O]13
  • Alphabetic Formula: Al4.65Ba0.02Ca1.8[H2O]13K0.25Na0.7O36Si13.35Sr0.03
  • Published Formula: (Ca,Na2)Al2Si7O18·6H2O; heulandite
  • Refined Formula: Al4.10Ca2.47H23.90O47.95Si13.90
  • Wyckoff Sequence: 8,b29a13
  • Z Formula Units: 2
  • Density: ρ = 2.23 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_1926101

  • 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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