Inorganic Solid Phases

(Al23.5P19.5Si4.9)O96Hx (H4.1Al23.6Si4.9P19.5O96) Crystal Structure

General Information

  • Phase Label(s): H4.1Al23.6Si4.9P19.5O96
  • Structure Class(es): zeolite AFX
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP144
  • Space Group: 163
  • Phase Prototype: H4.1Al23.5Si4.9P19.5O96
  • 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 = 0.121264 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): phosphate, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 58 variables; 803 reflections, RP = 0.0959; wRP = 0.1061
  • Sample Detail(s): sample prepared from tetramethyl-hexane-1,6-diamine, H3PO4, SiO2, Al2O3, electron microprobe analysis, NMR spectroscopy; 31.4 wt.% Al2O3, 36.3 wt.% P2O5, 10.5 wt.% SiO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H4.1Al23.6Si4.9P19.5O96
  • Alphabetic Formula: Al23.6H4.1O96P19.5Si4.9
  • Published Formula: (Al23.5P19.5Si4.9)O96Hx
  • Refined Formula: Al24O96P24
  • Wyckoff Sequence: 163,i12
  • Z Formula Units: 1
  • Density: ρ = 1.48 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_1201379

  • 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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