Inorganic Solid Phases

Ca5.33Na5.33Al16Si24O80·10.6H2O (Na1.34Ca1.33Al4Si6O20[H2O]4 ht, T = 582 K) Crystal Structure

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 and structural parameters), X-rays, synchrotron; λ = 0.1512 nm (determination of cell and structural parameters), T = 582 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 54 variables; 424 reflections, RP = 0.0485; wRP = 0.0638; RB = 0.0201
  • Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.33Ca1.33Al4Si6O20[H2O]2.64
  • Alphabetic Formula: Al4Ca1.33[H2O]2.64Na1.33O20Si6
  • Published Formula: Ca5.33Na5.33Al16Si24O80·10.6H2O
  • Refined Formula: Al4Ca1.13H5.28Na1.13O22.64Si6
  • Wyckoff Sequence: 43,b9a
  • Z Formula Units: 4
  • Density: ρ = 2.19 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1520615

  • 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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