Inorganic Solid Phases

Ca4Na4-A zeolite (Na4Ca4Al12Si12O48[H2O]25.5) Crystal Structure

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General Information

  • Phase Label(s): Na4Ca4Al12Si12O48[H2O]25.5
  • Structure Class(es): zeolite LTA
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cP106
  • Space Group: 221
  • Phase Prototype: Na4Ca4(Al0.5Si0.5)24O48[H2O]25.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Seifert (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.13772; wR = 0.0651; RB = 0.18587
  • Sample Detail(s): sample prepared from Na12Si12Al12O48[H2O]27-4A zeolite, CaCl2, EDTA complexometry, flame photometry; composition determined as Na3.28Ca3.91Al12Si12O48[H2O]31.69, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na4Ca4Al12Si12O48[H2O]31.7
  • Alphabetic Formula: Al12Ca4[H2O]31.7Na4O48Si12
  • Published Formula: Ca4Na4-A zeolite
  • Refined Formula: Al12Ca3.91H19.22Na3.28O57.61Si12
  • Wyckoff Sequence: 221,mljhg4da
  • Z Formula Units: 1
  • Density: ρ = 2.03 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
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_1613519

  • 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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