Inorganic Solid Phases

(Na1.81Ca0.10)[(Al1.92Si3.08)O10]·2.08H2O (Na4Al4Si6O20[H2O]4 tet) Crystal Structure

General Information

  • Phase Label(s): Na4Al4Si6O20[H2O]4 tet
  • Structure Class(es): zeolite NAT
  • Classification by Properties:
  • Mineral Name(s): gonnardite
  • Pearson Symbol: tI76
  • Space Group: 122
  • Phase Prototype: K0.5Na4(Al0.45Si0.55)10O20[H2O]4
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Syntex P1 (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; 860 reflections; I > 2σ(I), R = 0.034; wR = 0.041
  • Sample Detail(s): natrolite sample from Czech Republic, Usti nad Labem Region, Marianska Hora (Marienberg), chemical analysis; (Na1.81Ca0.10)[(Al1.92Si3.08)O10][H2O]2.08, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Al4Si6O20[H2O]4
  • Alphabetic Formula: Al4[H2O]4Na4O20Si6
  • Published Formula: (Na1.81Ca0.10)[(Al1.92Si3.08)O10]·2.08H2O
  • Refined Formula: Al2H4Na2O12Si3
  • Wyckoff Sequence: 122,e7a
  • 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1409365

  • 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)

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