Inorganic Solid Phases

high-silica zeolite theta-1, hydrogen form (H0.017Al0.017Si0.983O2 TON) Crystal Structure

General Information

  • Phase Label(s): H0.017Al0.017Si0.983O2 TON
  • Structure Class(es): zeolite TON
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS72
  • Space Group: 36
  • Phase Prototype: SiO2-a
  • Measurement Detail(s): automatic diffractometer; 28 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 302 reflections, R = 0.13
  • Sample Detail(s): mass spectroscopy, X-ray fluorescence spectroscopy; SiO2/Al2O3 ratio 60/1, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.017Al0.017Si0.983O2
  • Alphabetic Formula: Al0.017H0.017O2Si0.983
  • Published Formula: high-silica zeolite theta-1, hydrogen form
  • Refined Formula: Al0.02O2Si0.98
  • Wyckoff Sequence: 36,b7a4
  • Z Formula Units: 24
  • Density: ρ = 1.97 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_1605141

  • 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)

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