Inorganic Solid Phases

Ca10−x−2yNayREEx+y(P1−xSixO4)6A2; A= F, REE= La; x= 0.29, y= 0.36 (Na0.18Ca4.5La0.33[SiO4]0.14[PO4]2.86F) Crystal Structure

General Information

  • Phase Label(s): Na0.18Ca4.5La0.33[SiO4]0.14[PO4]2.86F
  • 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; 20 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, orthosilicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 41 variables; 329 reflections; I > 3σ(I), R = 0.01842; wR = 0.017
  • Sample Detail(s): fluorapatite sample from synthetic, sample prepared from Ca10[PO4]6[OH]2, La2O3, CaF2, SiO2, electron microprobe analysis; 37.68 wt.% P2O5, 1.63 wt.% SiO2, 9.93 wt.% La2O3, 47.54 wt.% CaO, 1.04 wt.% Na2O, 3.00 wt.% F, single crystal (determination of cell parameters), single crystal, 0.73 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.18Ca4.5La0.33[SiO4]0.14[PO4]2.86F
  • Alphabetic Formula: Ca4.5FLa0.33Na0.18[PO4]2.86[SiO4]0.14
  • Published Formula: Ca10−x−2yNayREEx+y(P1−xSixO4)6A2; A= F, REE= La; x= 0.29, y= 0.36
  • Refined Formula: Ca4.50FLa0.32Na0.18O12P2.85Si0.15
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.35 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_1617437

  • 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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