Inorganic Solid Phases

MoO3·1/3H2O (Mo3O9[H2O] orth) Crystal Structure

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General Information

  • Phase Label(s): Mo3O9[H2O] orth
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS52
  • Space Group: 41
  • Phase Prototype: Mo3O9[H2O]
  • Measurement Detail(s): automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540598 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 28 variables; 199 reflections, RP = 0.222; wRP = 0.210; RB = 0.280
  • Sample Detail(s): powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Mo3O9[H2O]
  • Alphabetic Formula: [H2O]Mo3O9
  • Published Formula: MoO3·1/3H2O
  • Refined Formula: Mo3O10
  • Wyckoff Sequence: 41,b5a3
  • Z Formula Units: 4
  • Density: ρ = 4.18 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

Powder Pattern

published defraction line
2θ [°]
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_1715735

  • 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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