Inorganic Solid Phases

Na2Ce2TiO2(SiO4)(CO3)2 (Na2Ce2Ti[SiO4][CO3]2O2) Crystal Structure

General Information

  • Phase Label(s): Na2Ce2Ti[SiO4][CO3]2O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tundrite-(Ce)
  • Pearson Symbol: aP42
  • Space Group: 2
  • Phase Prototype: Na2Ce2Ti[SiO4][CO3]2O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 2827 reflections, R = 0.027; wR = 0.073
  • Sample Detail(s): tundrite sample from Canada, Quebec, Rouville County, Mt. Saint-Hilaire, electron microprobe analysis; (Na1.906Ca0.039)(Ce1.030La0.621Nd0.229Pr0.081Sm0.014)(Ti0.875Nb0.109)O2H0.250(Si0.971O4)(C0.989O3)2, single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Ce2Ti[SiO4][CO3]2O2
  • Alphabetic Formula: [CO3]2Ce2Na2O2[SiO4]Ti
  • Published Formula: Na2Ce2TiO2(SiO4)(CO3)2
  • Refined Formula: C2Ca0.04Ce1.03H0.36La0.62Na1.91Nb0.11Nd0.23O12.11Pr0.08SiSm0.01Ti0.87
  • Wyckoff Sequence: 2,i20fe
  • Z Formula Units: 2
  • Density: ρ = 4.20 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_1221710

  • 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