Inorganic Solid Phases

Ca5(PO4)3F (Ca5[PO4]3F) Crystal Structure

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General Information

  • Phase Label(s): Ca5[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties: nonmetal
  • Mineral Name(s): fluorapatite
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku D/MAX-IIIC (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; refinement techniques compared, Rietveld refinement, RP = 0.1238; wRP = 0.0612; RB = 0.0279
  • Sample Detail(s): fluorapatite sample from synthetic, sample prepared from Ca5[PO4]3F, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca5[PO4]3F
  • Alphabetic Formula: Ca5F[PO4]3
  • Published Formula: Ca5(PO4)3F
  • Refined Formula: Ca4.98F0.98O11.99P3
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.21 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1721768

  • 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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