Inorganic Solid Phases

britholite-(Ce) (Ca2.43Ce2.57[SiO4]3[OH]0.16F0.84) Crystal Structure

General Information

  • Phase Label(s): Ca2.43Ce2.57[SiO4]3[OH]0.16F0.84
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): britholite-(Ce)
  • Pearson Symbol: mP42
  • Space Group: 4
  • Phase Prototype: (Ca0.43Ce0.57)5[SiO4]3([OH]0.16F0.84)
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo K (determination of cell and structural parameters), T = 292 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1282 reflections; I > 3σ(I), R = 0.018; wR = 0.026
  • Sample Detail(s): britholite sample from Canada, Quebec, Kipawa complex, R5.34Si2.79O24(F0.84[OH]0.16), R= Ca2.24La0.17Ce1.23Pr0.17Nd0.35Sm0.04Eu0.01Gd0.15Dy0.07Ho0.05Er0.04Y0.69, single crystal (determination of cell parameters), single crystal, 0.11×0.12×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2.43Ce2.57[SiO4]3[OH]0.16F0.84
  • Alphabetic Formula: Ca2.43Ce2.57F0.84[OH]0.16[SiO4]3
  • Published Formula: britholite-(Ce)
  • Refined Formula: Ca2.43Ce2.57F0.84H0.16O12.16Si3
  • Wyckoff Sequence: 4,a21
  • Z Formula Units: 2
  • Density: ρ = 4.61 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_1400580

  • 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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