Inorganic Solid Phases

britholite-(Y) (Ca0.2Y4.48Lu0.32[SiO4]3[OH]0.07F0.93) Crystal Structure

General Information

  • Phase Label(s): Ca0.2Y4.48Lu0.32[SiO4]3[OH]0.07F0.93
  • 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; 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; 850 reflections; I > 3σ(I), R = 0.034; wR = 0.036
  • Sample Detail(s): britholite sample from Japan, Fukushima Prefecture, Suishoyama, R4.95Si2.93P0.13O24[OH]0.07F0.93, R= Ca1.24Fe0.21Mn0.49La0.01Ce0.09Pr0.01Nd0.10Sm0.05Tb0.01Dy0.26Ho0.09Er0.12Y2.27, single crystal (determination of cell parameters), single crystal, 0.13×0.14×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.2Y4.48Lu0.32[SiO4]3[OH]0.07F0.93
  • Alphabetic Formula: Ca0.2F0.93Lu0.32[OH]0.07[SiO4]3Y4.48
  • Published Formula: britholite-(Y)
  • Refined Formula: Ca0.20F0.93H0.07Lu0.32O12.07Si3Y4.48
  • Wyckoff Sequence: 4,a21
  • Z Formula Units: 2
  • Density: ρ = 4.84 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_1400581

  • 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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