Inorganic Solid Phases

(Ca,Sr)4Al8Si16O48·22H2O (Sr1.6Ca2.4Al8Si16O48[H2O]22) Crystal Structure

General Information

  • Phase Label(s): Sr1.6Ca2.4Al8Si16O48[H2O]22
  • Structure Class(es): zeolite GME
  • Classification by Properties:
  • Mineral Name(s): gmelinite-Ca
  • Pearson Symbol: hP118
  • Space Group: 194
  • Phase Prototype: Na8(Al0.33Si0.67)24O48[H2O]24
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (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, full-matrix least-squares refinement; 323 reflections; F > 3σ(F), R = 0.079; wR = 0.104
  • Sample Detail(s): gmelinite sample from Canada, Nova Scotia, chemical analysis; K0.11Na0.78Sr1.35Ca2.06Al7.82Si16.21O48[H2O]23.23, single crystal (determination of cell parameters), single crystal, 0.012 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr1.6Ca2.4Al8Si16O48[H2O]22
  • Alphabetic Formula: Al8Ca2.4[H2O]22O48Si16Sr1.6
  • Published Formula: (Ca,Sr)4Al8Si16O48·22H2O
  • Refined Formula: Al7.99Ca3.34H39.72O67.86Si16.01Sr2.22
  • Wyckoff Sequence: 194,lk4j2ihf
  • Z Formula Units: 1
  • Density: ρ = 2.09 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_1624074

  • 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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