Inorganic Solid Phases

SiO2 (T = 546 K) Crystal Structure

General Information

  • Phase Label(s): SiO2 ht cri
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s): cristobalite high
  • Pearson Symbol: cF104
  • Space Group: 227
  • Phase Prototype: SiO2
  • Measurement Detail(s): automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 546 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 59 reflections, R = 0.054
  • Sample Detail(s): cristobalite high sample from India, Maharashtra State, Ellora caves, electron microprobe analysis; 0.12 wt.% Al, wt.% 0.05 Na, 0.04 wt.% Ca, 0.03 wt.% K and 0.02 wt.% Fe detected, single crystal, 0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: SiO2
  • Alphabetic Formula: O2Si
  • Published Formula: SiO2
  • Refined Formula: O2Si
  • Wyckoff Sequence: 227,ha
  • Z Formula Units: 8
  • Density: ρ = 2.17 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2040674

  • 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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