Inorganic Solid Phases

(Ca1REE3)[Al2(Al,Mg)(Mg,Fe,Al)][Si2O7][SiO4]3(O,F)(OH,O)2 (CaMg0.5Ce2.2Nd0.8Fe0.4Al3.1[SiO4]3[Si2O7]O1.1[OH]1.7F0.2) Crystal Structure

General Information

  • Phase Label(s): CaMg0.5Ce2.2Nd0.8Fe0.4Al3.1[SiO4]3[Si2O7]O1.1[OH]1.7F0.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): gatelite-(Ce)
  • Pearson Symbol: mP140
  • Space Group: 14
  • Phase Prototype: CaMg0.5(Ce0.73Nd0.27)3Fe0.4Al3.1[SiO4]3[Si2O7]O1.1[OH]1.7F0.2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, fluoride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 6891 reflections, R = 0.0715
  • Sample Detail(s): gatelite sample from France, Pyrenees, Ariège, Luzenac, Trimouns quarry, electron microprobe analysis; (Ca1.09La0.54Ce1.36Pr0.14Nd0.75Sm0.11Dy0.01Y0.04)(Al3.06Mg0.51Fe2+0.32Nb0.01)Si5.06O20.26[OH]1.60F0.14, single crystal (determination of cell parameters), single crystal, 0.030×0.040×0.110 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.5Ce2.2Nd0.8Fe0.4Al3.1[SiO4]3[Si2O7]O1.1[OH]1.7F0.2
  • Alphabetic Formula: Al3.1CaCe2.2F0.2Fe0.4Mg0.5Nd0.8O1.1[OH]1.7[SiO4]3[Si2O7]
  • Published Formula: (Ca1REE3)[Al2(Al,Mg)(Mg,Fe,Al)][Si2O7][SiO4]3(O,F)(OH,O)2
  • Refined Formula: Al3.11Ca1.11Ce2.89Fe0.35H2Mg0.54O22Si5
  • Wyckoff Sequence: 14,e35
  • Z Formula Units: 4
  • Density: ρ = 4.55 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_1220817

  • 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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