Inorganic Solid Phases

Ca10((V0.1P0.9)O4)6F2 (Ca5[VO4]1.5[PO4]1.5F) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ca5[VO4]1.5[PO4]1.5F
  • Structure Class(es): apatite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Shimadzu XRD-6000 LabX (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, vanadate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.10232
  • Sample Detail(s): sample prepared from CaO, CaF2, H3PO4, V2O5, electron microprobe analysis, energy-dispersive X-ray analysis; composition confirmed; very small amounts of Ca3[PO4]2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca5[VO4]0.3[PO4]2.7F
  • Alphabetic Formula: Ca5F[PO4]2.7[VO4]0.3
  • Published Formula: Ca10((V0.1P0.9)O4)6F2
  • Refined Formula: Ca5FO12P2.70V0.30
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.23 Mg·m−3
View 3D Interactive Structure

Cite this page

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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1622585

  • 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

    Download this citation

    Citation copied