Inorganic Solid Phases

Ca3.91Al7.77Si8.22O32·17·6H2O (Ca4Al8[SiO4]8[H2O]18, T = 15 K) Crystal Structure

General Information

  • Phase Label(s): Ca4Al8[SiO4]8[H2O]18
  • Structure Class(es): zeolite GIS
  • Classification by Properties:
  • Mineral Name(s): gismondine
  • Pearson Symbol: mP72
  • Space Group: 14
  • Phase Prototype: Ca4Al8[SiO4]8[H2O]16
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.10504 nm (determination of cell and structural parameters), T = 15 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 299 variables; 1941 reflections; F2 > 3σ(F2), R = 0.081; wR = 0.099
  • Sample Detail(s): gismondine sample from, electron microprobe analysis; Ca3.91Al7.77Si8.22O32[H2O]17.6, single crystal (determination of cell parameters), single crystal, 2.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca4Al8[SiO4]8[H2O]18
  • Alphabetic Formula: Al8Ca4[H2O]18[SiO4]8
  • Published Formula: Ca3.91Al7.77Si8.22O32·17·6H2O
  • Refined Formula: Al8Ca4H34.42O49.21Si8
  • Wyckoff Sequence: 14,e19
  • Z Formula Units: 1
  • Density: ρ = 2.28 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1613526

  • 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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