Inorganic Solid Phases

Ca6Al12Si12O48·28H2O (Ca6Al12Si12O48[H2O]28) Crystal Structure

General Information

  • Phase Label(s): Ca6Al12Si12O48[H2O]28
  • Structure Class(es): zeolite LTA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP140
  • Space Group: 221
  • Phase Prototype: Ca6(Al0.5Si0.5)24O48[H2O]28
  • Measurement Detail(s): Jagodzinski film (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Fe Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, least-squares refinement; 383 reflections; I > 1σ(I), wR = 0.13
  • Sample Detail(s): sample prepared from Ca[ClO4]2, thermogravimetry, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca6Al12Si12O48[H2O]28
  • Alphabetic Formula: Al12Ca6[H2O]28O48Si12
  • Published Formula: Ca6Al12Si12O48·28H2O
  • Refined Formula: Al12Ca6H42.86O69.43Si12
  • Wyckoff Sequence: 221,m2kihg5ca
  • Z Formula Units: 1
  • Density: ρ = 1.97 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2060524

  • 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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