Inorganic Solid Phases

Na5−6Ca2−1.5Al9Si11O40·12H2O or Na5.6Ca1.6Al9Si11O40·12H2O (Na2.725Ca0.95Al4.625Si5.375O20[H2O]5.5) Crystal Structure

General Information

  • Phase Label(s): Na2.725Ca0.95Al4.625Si5.375O20[H2O]5.5
  • Structure Class(es): zeolite NAT
  • Classification by Properties:
  • Mineral Name(s): gonnardite
  • Pearson Symbol: tI84
  • Space Group: 122
  • Phase Prototype: Na2.725Ca0.95(Al0.46Si0.54)10O20[H2O]5.5
  • Measurement Detail(s): automatic diffractometer; Philips PW1050 (determination of structural parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.128; wRP = 0.172
  • Sample Detail(s): gonnardite sample from Italy, Aci Castello, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2.9Ca0.8Al4.5Si5.5O20[H2O]6
  • Alphabetic Formula: Al4.5Ca0.8[H2O]6Na2.9O20Si5.5
  • Published Formula: Na5−6Ca2−1.5Al9Si11O40·12H2O or Na5.6Ca1.6Al9Si11O40·12H2O
  • Refined Formula: Al4.50Ca0.80H9.87Na2.92O24.94Si5.50
  • Wyckoff Sequence: 122,e5d3a
  • Z Formula Units: 2
  • Density: ρ = 2.34 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_1715714

  • 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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