Inorganic Solid Phases

[V(OH)(H2O)2C4O4)]2·2H2O (V[C4O4][OH][H2O]3) Crystal Structure

General Information

  • Phase Label(s): V[C4O4][OH][H2O]3
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: aP26
  • Space Group: 2
  • Phase Prototype: Cr[C4O4][OH][H2O]3
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): squarate, hydroxide, hydrate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 119 variables; 2322 reflections, R = 0.028; wR = 0.053
  • Sample Detail(s): sample prepared from V2O5, H2[C4O4], chemical analysis; 20.7 wt.% C, 2.54 wt.% H, single crystal, 0.02×0.15×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: V[C4O4][OH][H2O]3
  • Alphabetic Formula: [C4O4][H2O]3[OH]V
  • Published Formula: [V(OH)(H2O)2C4O4)]2·2H2O
  • Refined Formula: C4H7O8V
  • Wyckoff Sequence: 2,i13
  • Z Formula Units: 2
  • Density: ρ = 1.96 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_1906449

  • 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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