Inorganic Solid Phases

Ca5.3Na0.4Al11Si13O48·(Al0.3O0.6H0.3) (Ca11Al22.6Si26O96.6[OH]0.6) Crystal Structure

General Information

  • Phase Label(s): Ca11Al22.6Si26O96.6[OH]0.6
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF776
  • Space Group: 226
  • Phase Prototype: Sr12Al24Si24O96
  • 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 = 0.046; wR = 0.035
  • Sample Detail(s): zeolite group sample from synthetic, sample prepared from 4A zeolite, CaCl2, electron microprobe analysis; Na0.4Ca5.2Al11.5Si12.5O48, single crystal (determination of cell parameters), single crystal, 0.084 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca11Al22.6Si26O96.6[OH]0.6
  • Alphabetic Formula: Al22.6Ca11O96.6[OH]0.6Si26
  • Published Formula: Ca5.3Na0.4Al11Si13O48·(Al0.3O0.6H0.3)
  • Refined Formula: Al22.61Ca11.15O98.40Si25.99
  • Wyckoff Sequence: 226,ji4g3b
  • Z Formula Units: 4
  • Density: ρ = 1.52 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_1408965

  • 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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