Inorganic Solid Phases

CaREMg2AlSi3O11(OH)F (CaMg1.8CeFe0.2Al[Si2O7][SiO4][OH]F) Crystal Structure

General Information

  • Phase Label(s): CaMg1.8CeFe0.2Al[Si2O7][SiO4][OH]F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): dollaseite-(Ce)
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): Gandolfi photographs (determination of cell parameters), automatic diffractometer; Buerger-Supper Pace-Picker (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 60 reflections; F > 3σ(F), R = 0.032; wR = 0.025
  • Sample Detail(s): dollaseite sample from Sweden, Västmanland, Norberg, Ostanmossa mine, electron microprobe analysis; 32.4 wt.% SiO2, 8.9 wt.% Al2O3, 3.3 wt.% FeO, 13.1 wt.% MgO, 9.2 wt.% CaO, 13.2 wt.% Ce2O3 et al., powder (determination of cell parameters), single crystal, 0.06×0.20×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg1.8CeFe0.2Al[SiO4][Si2O7][OH]F
  • Alphabetic Formula: AlCaCeFFe0.2Mg1.8[OH][SiO4][Si2O7]
  • Published Formula: CaREMg2AlSi3O11(OH)F
  • Refined Formula: Al0.99Ca0.96Ce1.04F0.87Fe0.14HMg1.87O12.13Si3
  • 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [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_1616312

  • 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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