Inorganic Solid Phases

(Ce)3CaAl2Mg(Fe)2[Si2O7][SiO4]3F(OH)2 (CaMg1.5Ce3Fe0.5Al2[SiO4]3[Si2O7][OH]2F) Crystal Structure

General Information

  • Phase Label(s): CaMg1.5Ce3Fe0.5Al2[SiO4]3[Si2O7][OH]2F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): västmanlandite-(Ce)
  • Pearson Symbol: mP74
  • Space Group: 11
  • Phase Prototype: Ca(Mg0.75Fe0.25)2Ce3Al2[SiO4]3[Si2O7][OH]2F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 210 variables; 2864 reflections; F > 4σ(F), R = 0.0173; wR = 0.0389
  • Sample Detail(s): västmanlandite sample from Sweden, Västmanland, electron microprobe analysis; (Ce1.62La0.93Nd0.42Pr0.14Sm0.03Y0.02Gd0.01)Ca0.92Mg1.52Fe0.55Al1.88Si4.94P0.01O19[OH]2[F0.62O0.38], single crystal (determination of cell parameters), single crystal, 0.06×0.07×0.07 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg1.5Ce3Fe0.5Al2[SiO4]3[Si2O7][OH]2F
  • Alphabetic Formula: Al2CaCe3FFe0.5Mg1.5[OH]2[SiO4]3[Si2O7]
  • Published Formula: (Ce)3CaAl2Mg(Fe)2[Si2O7][SiO4]3F(OH)2
  • Refined Formula: Al1.93Ca0.92Ce3.08F0.50Fe0.51H2Mg1.56O21.50Si5
  • Wyckoff Sequence: 11,f8e20a
  • Z Formula Units: 2
  • Density: ρ = 4.43 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_1011134

  • 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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