Inorganic Solid Phases

Ce4Fe(Ti,Fe)2Ti2O8(Si2O7)2 (Ca0.46Mg0.08Ce3.55Ti2.37Nb0.16Fe1.8[Si2O7]2O6.72[OH]1.28) Crystal Structure

General Information

  • Phase Label(s): Ca0.46Mg0.08Ce3.55Ti2.37Nb0.16Fe1.8[Si2O7]2O6.72[OH]1.28
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chevkinite-(Ce)
  • Pearson Symbol: mS70
  • Space Group: 12
  • Phase Prototype: (Ca0.15La0.85)4V5[Si2O7]2O8
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 117 variables; 1196 reflections; I > 2σ(I), R = 0.0241; wR = 0.0590
  • Sample Detail(s): chevkinite sample from China, Sichuan Province, Mianning, electron microprobe analysis; (Ce1.76La0.89Ca0.46Nd0.22Pr0.18Sm0.04Gd0.04Th0.03Ba0.010.37)4(Fe3+0.29Ti0.21Fe2+0.18Mn2+0.13Mg0.080.11)(Ti2.16Fe3+0.81Fe2+0.52Nb0.16Al0.060.08)Si4O20.72(OH)1.28, single crystal (determination of cell parameters), single crystal, 0.08×0.09×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.46Mg0.08Ce3.55Ti2.37Nb0.16Fe1.8[Si2O7]2O6.72[OH]1.28
  • Alphabetic Formula: Ca0.46Ce3.55Fe1.8Mg0.08Nb0.16O6.72[OH]1.28[Si2O7]2Ti2.37
  • Published Formula: Ce4Fe(Ti,Fe)2Ti2O8(Si2O7)2
  • Refined Formula: Ca0.14Ce3.69Fe1.74Mg0.24Nb0.14O22Si4Ti2.74
  • Wyckoff Sequence: 12,j3i9ecba
  • Z Formula Units: 2
  • Density: ρ = 4.80 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_1621795

  • 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

    Citation copied