Inorganic Solid Phases

Ca1.00(RE0.74Ca0.26)(Al0.66Fe0.34)Al1.00(Al0.17Fe0.83)Si3O13H (CaCeFeAl2[Si2O7][SiO4]O[OH]) Crystal Structure

General Information

  • Phase Label(s): CaCeFeAl2[Si2O7][SiO4]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): precession photographs (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα (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; 846 reflections, R = 0.062
  • Sample Detail(s): allanite sample from U.S.A. California, Jan Gabriel Mountains, Pacoima Canyon, electron microprobe analysis; (Ca1.20Y0.02La0.23Ce0.48Nd0.07)(Al1.85Fe1.20Ti0.06Mn0.04Mg0.04)Si3O13H, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.3Ca1.3Ce0.7Fe1.2Al1.8[SiO4][Si2O7]O2
  • Alphabetic Formula: Al1.8Ca1.3Ce0.7Fe1.2H0.3O2[SiO4][Si2O7]
  • Published Formula: Ca1.00(RE0.74Ca0.26)(Al0.66Fe0.34)Al1.00(Al0.17Fe0.83)Si3O13H
  • Refined Formula: Al1.83Ca1.26Ce0.74Fe1.17O13Si3
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.91 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1615528

  • 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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