The material structure described by TiSnO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Sn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 26°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted SnO6 pentagonal pyramids that share corners with four equivalent Sn(1)O6 pentagonal pyramids and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_TiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   5.862
_cell_length_c   5.862
_cell_angle_alpha   141.209
_cell_angle_beta   141.209
_cell_angle_gamma   56.022
_symmetry_Int_Tables_number   1
_cell_volume   78.467
_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  0.750  0.250  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.556  0.056  0.500  1.0
  O  O3  1  0.207  0.207  0.000  1.0
  O  O4  1  0.944  0.444  0.500  1.0
  O  O5  1  0.793  0.793  0.000  1.0
[/CIF]
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The material structure described by TiSnO4 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal I-4m2 space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with four equivalent Sn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 26°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted SnO6 pentagonal pyramids that share corners with four equivalent Sn(1)O6 pentagonal pyramids and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_TiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.862
_cell_length_b   5.862
_cell_length_c   5.862
_cell_angle_alpha   141.209
_cell_angle_beta   141.209
_cell_angle_gamma   56.022
_symmetry_Int_Tables_number   1
_cell_volume   78.467
_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  0.750  0.250  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.556  0.056  0.500  1.0
  O  O3  1  0.207  0.207  0.000  1.0
  O  O4  1  0.944  0.444  0.500  1.0
  O  O5  1  0.793  0.793  0.000  1.0
[/CIF]
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