Inorganic Solid Phases

[PV2.5O8.5]·3.83H2O (V15[PO4]6O27[H2O]23) Crystal Structure

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General Information

  • Phase Label(s): V15[PO4]6O27[H2O]23
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cI274
  • Space Group: 217
  • Phase Prototype: V15[PO4]6O27[H2O]23
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 495 reflections, R = 0.0528; wR = 0.1329
  • Sample Detail(s): sample prepared from NH4VO3, [NH4]2HPO4, NH2OH[HCl], chemical analysis; 8.76 wt.% P, 35.81 wt.% V, single crystal (determination of cell parameters), single crystal, 0.33×0.37×0.42 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: V15[PO4]6O27[H2O]23
  • Alphabetic Formula: [H2O]23O27[PO4]6V15
  • Published Formula: [PV2.5O8.5]·3.83H2O
  • Refined Formula: H46O74P6V15
  • Wyckoff Sequence: 217,h2g5e2dc2b
  • Z Formula Units: 2
  • Density: ρ = 1.73 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213498

  • 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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