Inorganic Solid Phases

hexagonal WO3 (WO3 hex) Crystal Structure

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General Information

  • Phase Label(s): WO3 hex
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP12
  • Space Group: 191
  • Phase Prototype: WO3
  • Measurement Detail(s): diffractometer (determination of structural parameters), X-rays, Co Kα; λ = 0.179021 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): average structure determined, least-squares refinement, R = 0.098; wR = 0.109
  • Sample Detail(s): sample prepared from [WO3]3[H2O], spectroscopy; < 100 ppm K and Ca detected, no Na but trace amounts of adsorbed water; trace amounts of WO3 monoclinic, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: WO3
  • Alphabetic Formula: O3W
  • Published Formula: hexagonal WO3
  • Refined Formula: O3W
  • Wyckoff Sequence: 191,lgf
  • Z Formula Units: 3
  • Density: ρ = 6.42 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
2β12 [nm2]
2β13 [nm2]
2β23 [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1250681

  • 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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