Inorganic Solid Phases

Ca10−2yNayREEy(PO4)6(Cl,OH)2, y= 0.14 (Na0.07Ca4.86Dy0.07[PO4]3Cl0.5[OH]0.5) Crystal Structure

General Information

  • Phase Label(s): Na0.07Ca4.86Dy0.07[PO4]3Cl0.5[OH]0.5
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): chlorapatite/hydroxylapatite
  • Pearson Symbol: mP84
  • Space Group: 14
  • Phase Prototype: Pb5[(As0.99P0.01)O4]3Cl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 6186 reflections; I > 3σ(I), R = 0.032; wR = 0.038
  • Sample Detail(s): chlorapatite sample from synthetic, twinned crystal (determination of cell parameters), twinned crystal, 0.00052 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.07Ca4.86Dy0.07[PO4]3Cl0.5[OH]0.5
  • Alphabetic Formula: Ca4.86Cl0.5Dy0.07Na0.07[OH]0.5[PO4]3
  • Published Formula: Ca10−2yNayREEy(PO4)6(Cl,OH)2, y= 0.14
  • Refined Formula: Ca4.86Cl0.50Dy0.07H0.50Na0.07O12.50P3
  • Wyckoff Sequence: 14,e21
  • Z Formula Units: 4
  • Density: ρ = 3.26 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
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_1617742

  • 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

    Citation copied