Inorganic Solid Phases

Na6.98K0.27Mg0.01Ca0.15Sr0.01Ba0.00Fe0.01(H2O)22.43[Al7.41Si16.55O48] at 90 °C (K0.27Na6.84Ca0.15Al7.41Si16.59O48[H2O]22.4, T = 363 K) Crystal Structure

General Information

  • Phase Label(s): K0.27Na6.84Ca0.15Al7.41Si16.59O48[H2O]22.4
  • Structure Class(es): zeolite GME
  • Classification by Properties:
  • Mineral Name(s): gmelinite-Na
  • Pearson Symbol: hP118
  • Space Group: 194
  • Phase Prototype: Na8(Al0.33Si0.67)24O48[H2O]24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 363 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, least-squares refinement; 66 variables; 789 reflections; F > 4σ(F), R = 0.044; wR = 0.117
  • Sample Detail(s): gmelinite sample from Australia, Victoria, Flinders, electron microprobe analysis, thermogravimetry; Na6.98K0.27Mg0.01Ca0.15Sr0.01Ba0.00Fe0.01(H2O)22.43[Al7.41Si16.55O48], single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.27Na6.84Ca0.15Al7.41Si16.59O48[H2O]3.4
  • Alphabetic Formula: Al7.41Ca0.15[H2O]3.4K0.27Na6.84O48Si16.59
  • Published Formula: Na6.98K0.27Mg0.01Ca0.15Sr0.01Ba0.00Fe0.01(H2O)22.43[Al7.41Si16.55O48] at 90 °C
  • Refined Formula: Al7.44H6.86Na8.66O51.43Si16.56
  • Wyckoff Sequence: 194,l2k4j3if
  • Z Formula Units: 1
  • Density: ρ = 1.68 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_1224855

  • 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