Inorganic Solid Phases

Ca0.27La1.01Ce1.88Pr0.19Nd0.61Ti2.55Nb0.16Fe2.22Si3.91O22 (Ca0.37La1.11Ce1.83Pr0.16Nd0.51Ti2.63Nb0.16Fe1.97Si4.01O22) Crystal Structure

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General Information

  • Phase Label(s): Ca0.37La1.11Ce1.83Pr0.16Nd0.51Ti2.63Nb0.16Fe1.97Si4.01O22
  • 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; 16 (determination of cell parameters), automatic diffractometer; Nicolet P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; F > 4σ(F), R = 0.057; wR = 0.183
  • Sample Detail(s): electron microprobe analysis; Si3.91Ti2.55Fe3+1.29Nb0.16Fe2+0.93Mn2+0.06Zr0.01Y0.03Ce1.88La1.01Nd0.61Pr0.19Sm0.06Gd0.03Ca0.27O22, single crystal (determination of cell parameters), single crystal, 0.08×0.10×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.27La1.01Ce1.88Pr0.19Nd0.61Ti2.55Nb0.16Fe2.22Si3.91O22
  • Alphabetic Formula: Ca0.27Ce1.88Fe2.22La1.01Nb0.16Nd0.61O22Pr0.19Si3.91Ti2.55
  • Published Formula: Ca0.27La1.01Ce1.88Pr0.19Nd0.61Ti2.55Nb0.16Fe2.22Si3.91O22
  • Refined Formula: Ca0.32Ce1.88Fe3.29LaNb0.16Nd0.60O22Pr0.20Si4Ti1.55
  • Wyckoff Sequence: 12,j3i9ecba
  • Z Formula Units: 2
  • Density: ρ = 5.01 Mg·m−3
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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_1321155

  • 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)

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