Inorganic Solid Phases

percleveite-(Ce) (La0.42Y0.12Ce0.88Pr0.09Nd0.36Sm0.07Gd0.06[Si2O7]) Crystal Structure

General Information

  • Phase Label(s): La0.42Y0.12Ce0.88Pr0.09Nd0.36Sm0.07Gd0.06[Si2O7]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): percleveite-(Ce)
  • Pearson Symbol: tP88
  • Space Group: 76
  • Phase Prototype: Ca2[P2O7]
  • Measurement Detail(s): automatic diffractometer; 34 (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 112 variables; 1103 reflections; I > 2σ(I), R = 0.047; wR = 0.034
  • Sample Detail(s): percleveite sample from Sweden, Västmanland, Skinnskatteberg, Bastnäs deposit, sample prepared from percleveite-(Ce), electron microprobe analysis; (Ce0.87La0.41Nd0.35Y0.12Pr0.09Sm0.07Gd0.06Dy0.01Ca0.01)Si2.01O7, powder (determination of cell parameters), single crystal, 0.04×0.05×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: La0.42Y0.12Ce0.88Pr0.09Nd0.36Sm0.07Gd0.06[Si2O7]
  • Alphabetic Formula: Ce0.88Gd0.06La0.42Nd0.36Pr0.09[Si2O7]Sm0.07Y0.12
  • Published Formula: percleveite-(Ce)
  • Refined Formula: Ce0.88Gd0.06La0.42Nd0.36O7Pr0.09Si2Sm0.07Y0.12
  • Wyckoff Sequence: 76,a22
  • Z Formula Units: 8
  • Density: ρ = 5.21 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601521

  • 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