Inorganic Solid Phases

D-heulandite, Si/Al= 3.1 (D4.39Al4.39Si13.61O36[D2O]4.08, T = 2.25 K) Crystal Structure

General Information

  • Phase Label(s): D4.39Al4.39Si13.61O36[D2O]4.08
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS120
  • Space Group: 12
  • Phase Prototype: H4.39(Al0.24Si0.76)18O36[H2O]4.08
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.239845(1) nm (determination of cell and structural parameters), T = 2.25 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate-D
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, Rietveld refinement; 105 variables, RP = 0.0343; wRP = 0.0438
  • Sample Detail(s): sample prepared from Ca3.54Na0.96K0.09Al8.62Si27.51O72[H2O]2, energy-dispersive X-ray analysis; no Ca, K or Na detected, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: D4.39Al4.39Si13.61O36[D2O]4.08
  • Alphabetic Formula: Al4.39D4.39[D2O]4.08O36Si13.61
  • Published Formula: D-heulandite, Si/Al= 3.1
  • Refined Formula: Al4.32D9.77O40.08Si13.68
  • Wyckoff Sequence: 12,j12i4hg
  • Z Formula Units: 2
  • Density: ρ = 1.87 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1125599

  • 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