Inorganic Solid Phases

Ca40Na16Si96Al96O384 (Na4Ca4Al12Si12O48) Crystal Structure

General Information

  • Phase Label(s): Na4Ca4Al12Si12O48
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP88
  • Space Group: 221
  • Phase Prototype: Na4Ca4(Al0.5Si0.5)24O48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.1909 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): average structure determined, Rietveld refinement, wRP = 0.1425
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from Ca-5A zeolite, chemical analysis; Ca40Na16Si96Al96O384[H2O]33/(Si/Al) ratio 1.018(20), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na2Ca5Al12Si12O48
  • Alphabetic Formula: Al12Ca5Na2O48Si12
  • Published Formula: Ca40Na16Si96Al96O384
  • Refined Formula: Al12Ca5Na2O48Si12
  • Wyckoff Sequence: 221,mkihg2
  • Z Formula Units: 1
  • Density: ρ = 1.49 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
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_1407857

  • 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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