The compound described by (Zn)3Ti4SnO12 crystallizes in the cubic Im-3m space group. The structure consists of six 7440-66-6 atoms inside a Ti4SnO12 framework. In the Ti4SnO12 framework, Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Sn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. Sn(1) is bonded to twelve equivalent O(1) atoms to form SnO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. O(1) is bonded in a linear geometry to two equivalent Ti(1) and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ti4Zn3SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   6.703
_cell_length_c   6.703
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   231.800
_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
  Ti  Ti0  1  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.000  0.500  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.749  0.251  0.000  1.0
  O  O9  1  0.497  0.749  0.749  1.0
  O  O10  1  0.749  0.000  0.251  1.0
  O  O11  1  0.749  0.749  0.497  1.0
  O  O12  1  0.000  0.251  0.749  1.0
  O  O13  1  0.251  0.000  0.749  1.0
  O  O14  1  0.251  0.251  0.503  1.0
  O  O15  1  0.503  0.251  0.251  1.0
  O  O16  1  0.251  0.503  0.251  1.0
  O  O17  1  0.251  0.749  0.000  1.0
  O  O18  1  0.000  0.749  0.251  1.0
  O  O19  1  0.749  0.497  0.749  1.0
[/CIF]
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The compound described by (Zn)3Ti4SnO12 crystallizes in the cubic Im-3m space group. The structure consists of six 7440-66-6 atoms inside a Ti4SnO12 framework. In the Ti4SnO12 framework, Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Sn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. Sn(1) is bonded to twelve equivalent O(1) atoms to form SnO12 cuboctahedra that share faces with eight equivalent Ti(1)O6 octahedra. O(1) is bonded in a linear geometry to two equivalent Ti(1) and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ti4Zn3SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.703
_cell_length_b   6.703
_cell_length_c   6.703
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   231.800
_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
  Ti  Ti0  1  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.000  0.500  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.749  0.251  0.000  1.0
  O  O9  1  0.497  0.749  0.749  1.0
  O  O10  1  0.749  0.000  0.251  1.0
  O  O11  1  0.749  0.749  0.497  1.0
  O  O12  1  0.000  0.251  0.749  1.0
  O  O13  1  0.251  0.000  0.749  1.0
  O  O14  1  0.251  0.251  0.503  1.0
  O  O15  1  0.503  0.251  0.251  1.0
  O  O16  1  0.251  0.503  0.251  1.0
  O  O17  1  0.251  0.749  0.000  1.0
  O  O18  1  0.000  0.749  0.251  1.0
  O  O19  1  0.749  0.497  0.749  1.0
[/CIF]
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