Inorganic Solid Phases

Ca4REE6(SiO4)6(OH,F)2 (Ca2La1.3Ce1.7[SiO4]3[OH]) Crystal Structure

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General Information

  • Phase Label(s): Ca2La1.3Ce1.7[SiO4]3[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; 22 (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, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 46 variables; 1121 reflections; I > 2σ(I), R = 0.039; wR = 0.059
  • Sample Detail(s): lessingite sample from Russia, Urals, Kyshtym area, electron microprobe analysis; 1.00 wt.% P2O5, 22.30 wt.% SiO2, 12.40 wt.% CaO, 27.00 wt.% La2O3, 29.50 wt.% Ce2O3, 1.50 wt.% Pr2O3, 3.70 wt.% Nd2O3, single crystal (determination of cell parameters), single crystal, 0.25×0.25×0.43 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2La1.3Ce1.7[SiO4]3[OH]
  • Alphabetic Formula: Ca2Ce1.7La1.3[OH][SiO4]3
  • Published Formula: Ca4REE6(SiO4)6(OH,F)2
  • Refined Formula: HLa3.94O13Si3
  • Wyckoff Sequence: 173,c6b2a
  • Z Formula Units: 2
  • Density: ρ = 4.59 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_1409534

  • 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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