Inorganic Solid Phases

silica (SiO2 SSZ-42, T = 30(2) K) Crystal Structure

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General Information

  • Phase Label(s): SiO2 SSZ-42
  • Structure Class(es): zeolite IFR
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS96
  • Space Group: 12
  • Phase Prototype: SiO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, synchrotron; λ = 0.069 nm (determination of cell and structural parameters), T = 30(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement
  • Sample Detail(s): sample prepared from [Si16O32]F(C14H19)[OH]N, NMR spectroscopy; no significant changes in 29Si chemical shift with temperature, single crystal (determination of cell parameters), single crystal, 10×20×20 μm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: SiO2
  • Alphabetic Formula: O2Si
  • Published Formula: silica
  • Refined Formula: O2Si
  • Wyckoff Sequence: 12,j10i3g
  • Z Formula Units: 32
  • Density: ρ = 1.70 Mg·m−3
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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_1620226

  • 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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