Inorganic Solid Phases

Ca(VO)2(PO4)2 (Ca[VO]2[PO4]2) Crystal Structure

General Information

  • Phase Label(s): Ca[VO]2[PO4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oF120
  • Space Group: 43
  • Phase Prototype: Ca[VO]2[PO4]2
  • Measurement Detail(s): automatic diffractometer; 14 (determination of cell parameters), automatic diffractometer; Nicolet R3m/V (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 44 variables; 322 reflections; I > 3σ(I), R = 0.0346; wR = 0.0346
  • Sample Detail(s): sample prepared from Ca[OH]2, VO2, V2O5, H3PO4, H2O, Ca6.59O67.56P13.03V12.82, single crystal (determination of cell parameters), single crystal, 0.02×0.03×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca[VO]2[PO4]2
  • Alphabetic Formula: Ca[PO4]2[VO]2
  • Published Formula: Ca(VO)2(PO4)2
  • Refined Formula: CaO10P2V2
  • Wyckoff Sequence: 43,b7a
  • Z Formula Units: 8
  • Density: ρ = 3.61 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_1408367

  • 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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