Inorganic Solid Phases

H2.7Na4.3Al6.9Si41.1O96 Crystal Structure

General Information

  • Phase Label(s): H2.7Na4.3Al6.9Si41.1O96
  • Structure Class(es): zeolite AFX
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP150
  • Space Group: 194
  • Phase Prototype: H2.6Na4.3(Al0.14Si0.86)48O96
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.11997 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 33 variables; 280 reflections, RP = 0.079; wRP = 0.102
  • Sample Detail(s): sample prepared from 1,4-bis(1-azoniabicyclo[2,2,2]octane)butyl dibromide, Na2SiO3, Al2[SO4]3[H2O]18, NaOH, chemical analysis; 32 wt.% Si, 5.2 wt.% Al, 2.8 wt.% Na, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H2.7Na4.3Al6.9Si41.1O96
  • Alphabetic Formula: Al6.9H2.7Na4.3O96Si41.1
  • Published Formula: H2.7Na4.3Al6.9Si41.1O96
  • Refined Formula: Al7.20Na3.06O96Si40.80
  • Wyckoff Sequence: 194,l3k4jig
  • Z Formula Units: 1
  • Density: ρ = 1.55 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1110448

  • 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