Inorganic Solid Phases

K6(V2O3)2(VO)2(PO4)4(HyP2O7) (HK6V4[VO]2[PO4]4[P2O7]O6) Crystal Structure

General Information

  • Phase Label(s): HK6V4[VO]2[PO4]4[P2O7]O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP108
  • Space Group: 31
  • Phase Prototype: HK6V4[VO]2[PO4]4[P2O7]O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4F (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, diphosphate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 268 variables; 1603 reflections; F2 > 2σ(F2), R = 0.049; wR = 0.128
  • Sample Detail(s): sample prepared from V2O5, K2CO3, H3PO4, Zn, N(C2H5)4Cl, amounts of H-K-O-P-V hydrate (main phase), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HK6V4[VO]2[PO4]4[P2O7]O6
  • Alphabetic Formula: HK6O6[PO4]4[P2O7]V4[VO]2
  • Published Formula: K6(V2O3)2(VO)2(PO4)4(HyP2O7)
  • Refined Formula: K6O31P6V6
  • Wyckoff Sequence: 31,b18a18
  • Z Formula Units: 2
  • Density: ρ = 3.03 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_1811220

  • 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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