Inorganic Solid Phases

Ca10−2yNayREEy(PO4)6Cl2, y= 0.17 (Na0.08Ca4.84Sm0.08[PO4]3Cl) Crystal Structure

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General Information

  • Phase Label(s): Na0.08Ca4.84Sm0.08[PO4]3Cl
  • Structure Class(es): apatite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP44
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3[OH]
  • 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): orthophosphate, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 42 variables; 788 reflections; I > 3σ(I), R = 0.021; wR = 0.018
  • Sample Detail(s): chlorapatite sample from synthetic, sample prepared from CaCO3, Sm2O3, SiO2, CaCl2, electron microprobe analysis; 40.3 wt.% P2O5, 51.0 wt.% CaO, 0.48 wt.% Na2O, 2.78 wt.% Sm2O3, 6.68 wt.% Cl, twinned crystal (determination of cell parameters), twinned crystal, 0.00047 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.08Ca4.84Sm0.08[PO4]3Cl
  • Alphabetic Formula: Ca4.84ClNa0.08[PO4]3Sm0.08
  • Published Formula: Ca10−2yNayREEy(PO4)6Cl2, y= 0.17
  • Refined Formula: Ca4.83ClNa0.08O12P3Sm0.09
  • Wyckoff Sequence: 176,ih4fe
  • Z Formula Units: 2
  • Density: ρ = 3.22 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

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_1617739

  • 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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