Inorganic Solid Phases

(Na2,Ca)[Al2Si4O12]·6H2O (Ca3.9Al7.8Si16.2O48[H2O]22.9) Crystal Structure

General Information

  • Phase Label(s): Ca3.9Al7.8Si16.2O48[H2O]22.9
  • Structure Class(es): zeolite GME
  • Classification by Properties:
  • Mineral Name(s): gmelinite-Ca
  • Pearson Symbol: hP110
  • Space Group: 194
  • Phase Prototype: Ca3.9(Al0.32Si0.68)24O48[H2O]24
  • Measurement Detail(s): precession and Weissenberg photographs (determination of cell parameters), Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (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; 509 reflections, R = 0.145
  • Sample Detail(s): gmelinite sample from Canada, Nova Scotia, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca4Al8Si16O48[H2O]24
  • Alphabetic Formula: Al8Ca4[H2O]24O48Si16
  • Published Formula: (Na2,Ca)[Al2Si4O12]·6H2O
  • Refined Formula: Al7.99Ca4H13.20O54.60Si16.01
  • Wyckoff Sequence: 194,lk6j2ihf
  • Z Formula Units: 1
  • Density: ρ = 2.04 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1706729

  • 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

    Citation copied