Inorganic Solid Phases

Na2Al2Si3O10·2H2O (Na4Al4Si6O20[H2O]4 orth) Crystal Structure

General Information

  • Phase Label(s): Na4Al4Si6O20[H2O]4 orth
  • Structure Class(es): zeolite NAT
  • Classification by Properties:
  • Mineral Name(s): natrolite O
  • Pearson Symbol: oF152
  • Space Group: 43
  • Phase Prototype: Na4Al4Si6O20[H2O]4
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Germany, Jülich Forschungszentrum, FRJ2-DIDO reactor, NANCY (determination of structural parameters), neutrons; λ = 0.1287 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 235 reflections; I > 2.5σ(I), R = 0.028
  • Sample Detail(s): natrolite sample from Czech Republic, Usti nad Labem Region, Zalezly, 44.66 wt.% SiO2, 26.59 wt.% Al2O3, 14.26 wt.% Na2O, 2.67 wt.% CaO, 0.74 wt.% K2O, 0.012 wt.% MgO, 0.14 wt.% P2O5, 0.013 wt.% Fe2O3, 10.95 wt.% H2O, single crystal (determination of cell parameters), single crystal, 1×2×3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Al4Si6O20[H2O]4
  • Alphabetic Formula: Al4[H2O]4Na4O20Si6
  • Published Formula: Na2Al2Si3O10·2H2O
  • Refined Formula: Al4H8Na3.60O24Si6
  • Wyckoff Sequence: 43,b9a
  • Z Formula Units: 4
  • 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]

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_1001401

  • 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