Inorganic Solid Phases

Ca5.3Na0.4Al11.0Si13.0O48·(Al0.3O0.6H0.3) (Ca5.5Al11.3Si13O48.3[OH]0.3) Crystal Structure

General Information

  • Phase Label(s): Ca5.5Al11.3Si13O48.3[OH]0.3
  • 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; Picker FACS-I (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 311 reflections; I > 2σ(I), R = 0.042; wR = 0.034
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from 4A zeolite, CaCl2, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.084 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca5.5Al11.3Si13O48.3[OH]0.3
  • Alphabetic Formula: Al11.3Ca5.5O48.3[OH]0.3Si13
  • Published Formula: Ca5.3Na0.4Al11.0Si13.0O48·(Al0.3O0.6H0.3)
  • Refined Formula: Al11.29Ca5.60O49.20Si13.01
  • Wyckoff Sequence: 221,mkihg3a
  • Z Formula Units: 1
  • Density: ρ = 1.50 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]

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_1408966

  • 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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