Inorganic Solid Phases

(Na,Ca,REE)10[(Si,P)O4]6(OH,F)2 (Na0.5Ca1.6La0.8Ce2[SiO4]2.1[PO4]0.9[OH]) Crystal Structure

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General Information

  • Phase Label(s): Na0.5Ca1.6La0.8Ce2[SiO4]2.1[PO4]0.9[OH]
  • Structure Class(es): apatite family
  • Classification by Properties: –
  • Mineral Name(s): britholite-(Ce)
  • Pearson Symbol: hP42
  • Space Group: 173
  • Phase Prototype: (Sr0.6Ca0.4)5[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; λ = 0.071073 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthophosphate, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 46 variables; 965 reflections; I > 2σ(I), R = 0.033; wR = 0.035
  • Sample Detail(s): britholite sample from Greenland, Naujakasik, electron microprobe analysis; 8.07 wt.% P2O5, 17.10 wt.% SiO2, 11.93 wt.% CaO, 1.91 wt.% Na2O, 17.98 wt.% La2O3, 29.42 wt.% Ce2O3, 2.48 wt.% Pr2O3, 7.55 wt.% Nd2O3, single crystal (determination of cell parameters), single crystal, 0.35×0.38×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Ca1.6La0.8Ce2[SiO4]2.1[PO4]0.9[OH]
  • Alphabetic Formula: Ca1.6Ce2La0.8Na0.5[OH][PO4]0.9[SiO4]2.1
  • Published Formula: (Na,Ca,REE)10[(Si,P)O4]6(OH,F)2
  • Refined Formula: HLa3.79O13P0.86Si2.14
  • Wyckoff Sequence: 173,c6b2a
  • Z Formula Units: 2
  • Density: ρ = 4.47 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_1409533

  • 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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