The structure described by BaTi4SnO12 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sn(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Sn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. Sn(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted SnO12 cuboctahedra that share corners with four equivalent Sn(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ti(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_BaTi4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   7.754
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.441
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.000  0.500  0.747  1.0
  Ti  Ti2  1  0.000  0.500  0.253  1.0
  Ti  Ti3  1  0.500  0.000  0.747  1.0
  Ti  Ti4  1  0.500  0.000  0.253  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.243  0.243  0.736  1.0
  O  O7  1  0.243  0.243  0.264  1.0
  O  O8  1  0.757  0.757  0.736  1.0
  O  O9  1  0.757  0.757  0.264  1.0
  O  O10  1  0.757  0.243  0.736  1.0
  O  O11  1  0.757  0.243  0.264  1.0
  O  O12  1  0.243  0.757  0.736  1.0
  O  O13  1  0.243  0.757  0.264  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by BaTi4SnO12 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Sn(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Sn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. Sn(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form distorted SnO12 cuboctahedra that share corners with four equivalent Sn(1)O12 cuboctahedra, corners with eight equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), two equivalent Ti(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ti(1) and two equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_BaTi4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.557
_cell_length_b   5.557
_cell_length_c   7.754
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.441
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ti  Ti1  1  0.000  0.500  0.747  1.0
  Ti  Ti2  1  0.000  0.500  0.253  1.0
  Ti  Ti3  1  0.500  0.000  0.747  1.0
  Ti  Ti4  1  0.500  0.000  0.253  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.243  0.243  0.736  1.0
  O  O7  1  0.243  0.243  0.264  1.0
  O  O8  1  0.757  0.757  0.736  1.0
  O  O9  1  0.757  0.757  0.264  1.0
  O  O10  1  0.757  0.243  0.736  1.0
  O  O11  1  0.757  0.243  0.264  1.0
  O  O12  1  0.243  0.757  0.736  1.0
  O  O13  1  0.243  0.757  0.264  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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