Inorganic Solid Phases

Cd(VOPO4)2·4H2O (Cd[VO]2[PO4]2[H2O]4) Crystal Structure

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General Information

  • Phase Label(s): Cd[VO]2[PO4]2[H2O]4
  • Structure Class(es): –
  • Classification by Properties: ferromagnet FM, intercalation compound
  • Mineral Name(s): –
  • Pearson Symbol: aP19
  • Space Group: 1
  • Phase Prototype: Ca[VO]2[PO4]2[H2O]4
  • Measurement Detail(s): automatic diffractometer; 6671 (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, least-squares refinement; 172 variables; 3612 reflections; I > 2σ(I), R = 0.0405; wR = 0.1152
  • Sample Detail(s): sample prepared from V2O5, CdCO3, Cd, TEACl (tetraethylammonium chloride), H3PO4, single crystal (determination of cell parameters), single crystal, 0.02×0.03×0.04 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cd[VO]2[PO4]2[H2O]4
  • Alphabetic Formula: [H2O]4Cd[PO4]2[VO]2
  • Published Formula: Cd(VOPO4)2·4H2O
  • Refined Formula: CdH8O14P2V2
  • Wyckoff Sequence: 1,a19
  • Z Formula Units: 1
  • Density: ρ = 3.36 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_1239840

  • 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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