Inorganic Solid Phases

(Ca0.82Y0.12Ln0.06)F2.15 (Ca0.82Y0.12Gd0.06F2.18) Crystal Structure

General Information

  • Phase Label(s): Ca0.82Y0.12Gd0.06F2.18
  • Structure Class(es): fluorite family
  • Classification by Properties:
  • Mineral Name(s): fluorite
  • Pearson Symbol: cF60
  • Space Group: 225
  • Phase Prototype: (Th0.025Pb0.975)F2.05
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; I > 1.96σ(I), R = 0.0147
  • Sample Detail(s): yttrofluorite sample from Russia, Kola Peninsula, West Keivy, Mt. Plovskaya, electron microprobe analysis; Na0.024Ca0.801Y0.118La0.006Ce0.010Pr0.003Nd0.003Sm0.004Gd0.004Dy0.005Er0.008Tm0.001Yb0.011Lu0.002F2.201, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.82Y0.12Gd0.06F2.18
  • Alphabetic Formula: Ca0.82F2.18Gd0.06Y0.12
  • Published Formula: (Ca0.82Y0.12Ln0.06)F2.15
  • Refined Formula: Ca0.82F2.15Gd0.05Y0.13
  • Wyckoff Sequence: 225,ica
  • Z Formula Units: 4
  • Density: ρ = 3.78 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1824145

  • 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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