Inorganic Solid Phases

Ca3Sn3−xTixAl2O12, x= 0.6 (Ca3TiAl2Sn2O12) Crystal Structure

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General Information

  • Phase Label(s): Ca3TiAl2Sn2O12
  • Structure Class(es): garnet family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku RINT-2000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0730; wRP = 0.1100; RB = 0.0209
  • Sample Detail(s): sample prepared from Ca[CO3], SnO2, TiO2 rutile, Al2O3, α, trace amounts of Ca(Sn,Ti)O3 (perovskite), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3Ti0.6Al2Sn2.4O12
  • Alphabetic Formula: Al2Ca3O12Sn2.4Ti0.6
  • Published Formula: Ca3Sn3−xTixAl2O12, x= 0.6
  • Refined Formula: Al2Ca3O12Sn2.40Ti0.60
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.58 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1603705

  • 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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