Inorganic Solid Phases

(Ca0.81REE0.66Y0.39Th0.13U0.02)(Fe2+0.29Li0.14Fe3+0.12Mn0.02Mg0.01)(Si1.98Be1.09B0.81Li0.12)O8(O1.20F0.51(OH)0.29) (Ca0.83Be1.17Y0.56Ce0.521Fe0.70[SiO4]2B0.81O1.20[OH]0.29F0.51) Crystal Structure

General Information

  • Phase Label(s): Ca0.83Be1.17Y0.56Ce0.521Fe0.70[SiO4]2B0.81O1.20[OH]0.29F0.51
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gadolinite-(Ce)/gadolinite-(Y)
  • Pearson Symbol: mP34
  • Space Group: 14
  • Phase Prototype: Be2Y2Fe[SiO4]2O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, borate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2, R = 0.0234
  • Sample Detail(s): gadolinite sample from Italy, Latium, Vico volcanic complex, electron microprobe analysis; Si1.977B0.807Be1.086Li0.123Al0.007Fe2+0.291Fe3+0.124Li0.135Mn2+0.020Mg0.014Ca0.811Y0.386La0.058Ce0.240Pr0.041Nd0.169Sm0.041Eu0.003Gd0.033Dy0.036Er0.020Yb0.023Th0.132U0.024O8O1.203F0.508(OH)0.289, twinned crystal (determination of cell parameters), twinned crystal, 0.08×0.16×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.83Be1.17Y0.56Ce0.521Fe0.70[SiO4]2B0.81O1.20[OH]0.29F0.51
  • Alphabetic Formula: B0.81Be1.17Ca0.83Ce0.521F0.51Fe0.70O1.20[OH]0.29[SiO4]2Y0.56
  • Published Formula: (Ca0.81REE0.66Y0.39Th0.13U0.02)(Fe2+0.29Li0.14Fe3+0.12Mn0.02Mg0.01)(Si1.98Be1.09B0.81Li0.12)O8(O1.20F0.51(OH)0.29)
  • Refined Formula: B0.80Be1.08Ca0.86Ce0.26F0.51Fe0.42H0.29La0.06Li0.25Mg0.01Mn0.02Nd0.18O9.49Pr0.04Si2Sm0.04Th0.14Y0.41
  • Wyckoff Sequence: 14,e8a
  • Z Formula Units: 2
  • Density: ρ = 3.99 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]

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_1221519

  • 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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