Inorganic Solid Phases

(Ca0.920)(La0.238Ce0.443Pr0.048Nd0.100Sm0.019Th0.042Mn0.008)(Al0.607Fe3+0.317Ti0.076)(Al1.000)(Fe2+0.543Fe3+0.365Mn0.055Mg0.037)(SiO4)(Si2O7)O(OH) (Ca0.92La0.28Ce0.48Nd0.14Fe1.34Al1.66[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca0.92La0.28Ce0.48Nd0.14Fe1.34Al1.66[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): allanite-(Ce)
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer; 20 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 296 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, least-squares refinement; 1459 reflections; F > 4σ(F), R = 0.0346; wR = 0.1049
  • Sample Detail(s): allanite sample from Japan, Yamanashi Prefecture, Daibosatsu Pass, electron microprobe analysis; 30.49 wt.% SiO2, 1.06 wt.% TiO2, 1.91 wt.% ThO2, 14.27 wt.% Al2O3, 9.00 wt.% Fe2O3, 6.74 wt.% La2O3, 13.28 wt.% Ce2O3, 1.39 wt.% Pr2O3, 2.93 wt.% Nd2O3, 0.59 wt.% Sm2O3, 7.16 wt.% FeO, 0.78 wt.% MnO, 0.26 wt.% MgO, 8.99 wt.% CaO, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.92La0.28Ce0.48Nd0.14Fe1.34Al1.66[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al1.66Ca0.92Ce0.48Fe1.34La0.28Nd0.14O[OH][SiO4][Si2O7]
  • Published Formula: (Ca0.920)(La0.238Ce0.443Pr0.048Nd0.100Sm0.019Th0.042Mn0.008)(Al0.607Fe3+0.317Ti0.076)(Al1.000)(Fe2+0.543Fe3+0.365Mn0.055Mg0.037)(SiO4)(Si2O7)O(OH)
  • Refined Formula: Al1.61Ca0.92Ce0.48Fe1.23La0.28Mg0.04Mn0.06Nd0.14O13Si3Ti0.08
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 4.06 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_1521229

  • 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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