Inorganic Solid Phases

heulandite, phase A (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): automatic diffractometer (determination of cell parameters), Philips PW1100 (determination of structural parameters), X-rays, Mo 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; 2089 reflections; F > 5σ(F), R = 0.054; wR = 0.049
  • Sample Detail(s): heulandite sample from Hungary, Nadap, sample prepared from heulandite, chemical analysis; (Na0.30K1.02Ca3.59Sr0.28Ba0.04)Al9.48Si26.61O72[H2O]25.5, single crystal (determination of cell parameters), single crystal, 0.001 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.51Na0.15Ba0.02Sr0.15Ca1.85Al4.7Si13.3O36[H2O]12.7
  • Alphabetic Formula: Al4.7Ba0.02Ca1.85[H2O]12.7K0.51Na0.15O36Si13.3Sr0.15
  • Published Formula: heulandite, phase A
  • Refined Formula: Al4.68Ba0.02Ca1.68H24.84K0.45Na0.13O48.42Si13.32Sr0.12
  • Wyckoff Sequence: 12,j14i6hg2b
  • Z Formula Units: 2
  • Density: ρ = 2.24 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_1602809

  • 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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