Inorganic Solid Phases

TS-1 (O-Si-Ti) (Ti0.022Si0.978O2 sil o1, T = 170 K) Crystal Structure

General Information

  • Phase Label(s): Ti0.022Si0.978O2 sil o1
  • Structure Class(es): zeolite MFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP288
  • Space Group: 62
  • Phase Prototype: SiO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, BM16 (determination of structural parameters), X-rays, synchrotron; λ = 0.074974(1) nm (determination of cell and structural parameters), T = 170 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 146 variables, RP = 0.0362; wRP = 0.0449
  • Sample Detail(s): chemical analysis; 97.4 wt.% SiO2, 2.6 wt.% TiO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.022Si0.978O2
  • Alphabetic Formula: O2Si0.978Ti0.022
  • Published Formula: TS-1 (O-Si-Ti)
  • Refined Formula: O2Si0.97Ti0.03
  • Wyckoff Sequence: 62,d34c4
  • Z Formula Units: 96
  • Density: ρ = 1.80 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_1121733

  • 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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