Inorganic Solid Phases

(Y,Ca)5[(SiO4)3](OH,F) (Ca2Y3[SiO4]3[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2Y3[SiO4]3[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): britholite-(Y)
  • Pearson Symbol: mP42
  • Space Group: 4
  • Phase Prototype: (Ca0.43Ce0.57)5[SiO4]3([OH]0.16F0.84)
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.07109 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 2272 reflections; F > 3σ(F), R = 0.111
  • Sample Detail(s): britholite sample from, electron microprobe analysis; (Y2.82Ca1.58Ce0.27Dy0.21Er0.11)[(Si2.95P0.05)3O12][OH,F], single crystal (determination of cell parameters), single crystal, 0.20×0.25×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2Y3[SiO4]3[OH]
  • Alphabetic Formula: Ca2[OH][SiO4]3Y3
  • Published Formula: (Y,Ca)5[(SiO4)3](OH,F)
  • Refined Formula: Ca2HO13Si3Y2.38
  • Wyckoff Sequence: 4,a21
  • Z Formula Units: 2
  • Density: ρ = 3.95 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818310

  • 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

    Citation copied