Inorganic Solid Phases

Ca3SbSnAl3O12 (Ca3Al3SnSbO12) Crystal Structure

General Information

  • Phase Label(s): Ca3Al3SnSbO12
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): bitikleite
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 19 variables; 255 reflections, R = 0.0401; wR = 0.0582
  • Sample Detail(s): bitikleite sample from Russia, Kabardino-Balkaria, Caucasus, Verkhne-Chegemskoe plateau, electron microprobe analysis, energy-dispersive X-ray analysis; Ca3.029Sr0.001Mn2+0.003Sb5+1.075Sn4+0.740Zr0.015Ti0.094U6+0.001V5+0.001Nb5+0.004Cr0.002Mg0.037Al1.530Fe3+1.206Fe2+0.104Ti4+0.129Si0.031O12, single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca3Al3SnSbO12
  • Alphabetic Formula: Al3Ca3O12SbSn
  • Published Formula: Ca3SbSnAl3O12
  • Refined Formula: Al1.61Ca3Fe1.39O12Sb1.36Ti0.64
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.29 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_1225029

  • 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