Inorganic Solid Phases

perboeite-(Ce) heated at 550 °C (CaLa0.5Ce1.3Pr0.2NdFeAl3[SiO4]3[Si2O7]O[OH]2) Crystal Structure

General Information

  • Phase Label(s): CaLa0.5Ce1.3Pr0.2NdFeAl3[SiO4]3[Si2O7]O[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): perboeite-(Ce)
  • Pearson Symbol: mP72
  • Space Group: 11
  • Phase Prototype: (Ca0.35Ce0.65)4(Fe0.6Al0.4)Al3[SiO4]3[Si2O7]O[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 203 variables; 2722 reflections; I > 2σ(I), R = 0.0305; wR = 0.0634
  • Sample Detail(s): perboeite-(Ce) sample from Norway, Tysfjord, Stetind quarry, sample prepared from perboeite-(Ce), electron microprobe analysis; (Ca1.01Mn0.03Na0.09La0.46Ce1.25Pr0.16Nd0.75Sm0.13Gd0.05Dy0.01Ho0.01Er0.02Y0.07Th0.01)(Al3.13Fe2+0.79Mg0.03)Si5.02O20(OH)2, before heating, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaLa0.5Ce1.3Pr0.2NdFeAl3[SiO4]3[Si2O7]O[OH]2
  • Alphabetic Formula: Al3CaCe1.3FeLa0.5NdO[OH]2Pr0.2[SiO4]3[Si2O7]
  • Published Formula: perboeite-(Ce) heated at 550 °C
  • Refined Formula: Al3.23Ca1.11Ce2.89Fe0.77H2O22Si5
  • Wyckoff Sequence: 11,f7e21a
  • Z Formula Units: 2
  • Density: ρ = 4.58 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_1235393

  • 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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