Inorganic Solid Phases

[NH4]8.8Al8.79Si27.25O72[H2O]16; heulandite, NH4-exchanged ([NH4]4.4Al4.4Si13.6O36[H2O]8, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): [NH4]4.4Al4.4Si13.6O36[H2O]8
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS188
  • Space Group: 12
  • Phase Prototype: [NH4]4.4(Al0.24Si0.76)18O36[H2O]8
  • Measurement Detail(s): automatic diffractometer; 10 (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 structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 1565 reflections; I > 3σ(I), R = 0.0378; wR = 0.0496
  • Sample Detail(s): sample prepared from Ca-rich heulandite, electron microprobe analysis; [NH4]8.64Al8.79Si27.25O72[H2O]x, single crystal (determination of cell parameters), single crystal, 0.1×0.15×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]4.4Al4.4Si13.6O36[H2O]8
  • Alphabetic Formula: Al4.4[H2O]8[NH4]4.4O36Si13.6
  • Published Formula: [NH4]8.8Al8.79Si27.25O72[H2O]16; heulandite, NH4-exchanged
  • Refined Formula: Al4.39H36.44N4.48O45.76Si13.61
  • Wyckoff Sequence: 12,j18i8h2g
  • Z Formula Units: 2
  • Density: ρ = 2.03 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_1601647

  • 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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