Inorganic Solid Phases

Na16Ca16Al48Si72O240·48H2O (Na1.34Ca1.33Al4Si6O20[H2O]4 ht, T = 473 K) Crystal Structure

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General Information

  • Phase Label(s): Na1.34Ca1.33Al4Si6O20[H2O]4 ht
  • 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 (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 473 K (determination of cell and structural parameters), p = 0.0001 GPa (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, Rietveld refinement; 60 variables, RP = 0.0530; wRP = 0.0736; RB = 0.0289
  • Sample Detail(s): mesolite sample from Iceland, Berufjördur, electron microprobe analysis; Na15.76Ca16.18Al48.28Si71.76O240[H2O]63.5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.34Ca1.33Al4Si6O20[H2O]4
  • Alphabetic Formula: Al4Ca1.33[H2O]4Na1.34O20Si6
  • Published Formula: Na16Ca16Al48Si72O240·48H2O
  • Refined Formula: Al4Ca1.32H7.84Na1.32O23.92Si6
  • Wyckoff Sequence: 43,b9a
  • Z Formula Units: 4
  • Density: ρ = 2.22 Mg·m−3
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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_1224946

  • 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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