The material structure described by TiSnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Ti site, Ti(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Ti site, Ti(3) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sn(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second Sn site, Sn(2) is bonded to one O(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third Sn site, Sn(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Sn(2), and one Sn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(2), and one Sn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Sn(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(1), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Sn(1) atom. is represented by the CIF file [CIF]
data_TiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   7.446
_cell_angle_alpha   71.941
_cell_angle_beta   71.941
_cell_angle_gamma   72.143
_symmetry_Int_Tables_number   1
_cell_volume   211.527
_cell_formula_units_Z   3
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  0.676  0.676  0.314  1.0
  Ti  Ti1  1  0.655  0.655  0.819  1.0
  Ti  Ti2  1  0.995  0.995  0.000  1.0
  Sn  Sn3  1  0.337  0.337  0.166  1.0
  Sn  Sn4  1  0.332  0.332  0.671  1.0
  Sn  Sn5  1  0.999  0.999  0.502  1.0
  O  O6  1  0.633  0.016  0.677  1.0
  O  O7  1  0.967  0.373  0.339  1.0
  O  O8  1  0.094  0.094  0.715  1.0
  O  O9  1  0.447  0.447  0.367  1.0
  O  O10  1  0.771  0.771  0.044  1.0
  O  O11  1  0.899  0.899  0.289  1.0
  O  O12  1  0.571  0.571  0.628  1.0
  O  O13  1  0.220  0.220  0.974  1.0
  O  O14  1  0.373  0.967  0.339  1.0
  O  O15  1  0.705  0.309  0.988  1.0
  O  O16  1  0.016  0.633  0.677  1.0
  O  O17  1  0.309  0.705  0.988  1.0
[/CIF]
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The material structure described by TiSnO4 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Ti site, Ti(2) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Ti site, Ti(3) is bonded to one O(3), one O(5), one O(6), one O(8), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sn(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(4), one O(8), two equivalent O(2), and two equivalent O(9) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second Sn site, Sn(2) is bonded to one O(3), one O(4), one O(7), one O(8), and two equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the third Sn site, Sn(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(2), one Sn(2), and one Sn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(2), and one Sn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ti(1), one Sn(1), and one Sn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Sn(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(3), one Sn(1), and one Sn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Sn(1) atom. is represented by the CIF file [CIF]
data_TiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   7.446
_cell_angle_alpha   71.941
_cell_angle_beta   71.941
_cell_angle_gamma   72.143
_symmetry_Int_Tables_number   1
_cell_volume   211.527
_cell_formula_units_Z   3
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  0.676  0.676  0.314  1.0
  Ti  Ti1  1  0.655  0.655  0.819  1.0
  Ti  Ti2  1  0.995  0.995  0.000  1.0
  Sn  Sn3  1  0.337  0.337  0.166  1.0
  Sn  Sn4  1  0.332  0.332  0.671  1.0
  Sn  Sn5  1  0.999  0.999  0.502  1.0
  O  O6  1  0.633  0.016  0.677  1.0
  O  O7  1  0.967  0.373  0.339  1.0
  O  O8  1  0.094  0.094  0.715  1.0
  O  O9  1  0.447  0.447  0.367  1.0
  O  O10  1  0.771  0.771  0.044  1.0
  O  O11  1  0.899  0.899  0.289  1.0
  O  O12  1  0.571  0.571  0.628  1.0
  O  O13  1  0.220  0.220  0.974  1.0
  O  O14  1  0.373  0.967  0.339  1.0
  O  O15  1  0.705  0.309  0.988  1.0
  O  O16  1  0.016  0.633  0.677  1.0
  O  O17  1  0.309  0.705  0.988  1.0
[/CIF]
.