The structure described by TiZnSnO4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. Zn(1) is bonded in a single-bond geometry to one O(2) atom. Sn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted SnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Ti(1) and three equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OTiSn3 trigonal pyramids. is represented by the CIF file [CIF]
data_TiZnSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.115
_cell_length_b   10.082
_cell_length_c   11.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.687
_cell_formula_units_Z   4
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  0.184  0.780  1.0
  Ti  Ti1  1  0.750  0.316  0.280  1.0
  Ti  Ti2  1  0.250  0.816  0.220  1.0
  Ti  Ti3  1  0.250  0.684  0.720  1.0
  Zn  Zn4  1  0.750  0.481  0.919  1.0
  Zn  Zn5  1  0.750  0.019  0.419  1.0
  Zn  Zn6  1  0.250  0.519  0.081  1.0
  Zn  Zn7  1  0.250  0.981  0.581  1.0
  Sn  Sn8  1  0.250  0.351  0.534  1.0
  Sn  Sn9  1  0.250  0.149  0.034  1.0
  Sn  Sn10  1  0.750  0.649  0.466  1.0
  Sn  Sn11  1  0.750  0.851  0.966  1.0
  O  O12  1  0.750  0.309  0.655  1.0
  O  O13  1  0.750  0.191  0.155  1.0
  O  O14  1  0.250  0.691  0.345  1.0
  O  O15  1  0.250  0.809  0.845  1.0
  O  O16  1  0.250  0.088  0.719  1.0
  O  O17  1  0.250  0.412  0.219  1.0
  O  O18  1  0.750  0.912  0.281  1.0
  O  O19  1  0.750  0.588  0.781  1.0
  O  O20  1  0.250  0.276  0.869  1.0
  O  O21  1  0.250  0.224  0.369  1.0
  O  O22  1  0.750  0.724  0.131  1.0
  O  O23  1  0.750  0.776  0.631  1.0
  O  O24  1  0.750  0.064  0.925  1.0
  O  O25  1  0.750  0.436  0.425  1.0
  O  O26  1  0.250  0.936  0.075  1.0
  O  O27  1  0.250  0.564  0.575  1.0
[/CIF]
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The structure described by TiZnSnO4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with three equivalent Sn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. Zn(1) is bonded in a single-bond geometry to one O(2) atom. Sn(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form distorted SnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Ti(1) and three equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing OTiSn3 trigonal pyramids. is represented by the CIF file [CIF]
data_TiZnSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.115
_cell_length_b   10.082
_cell_length_c   11.707
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.687
_cell_formula_units_Z   4
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  0.184  0.780  1.0
  Ti  Ti1  1  0.750  0.316  0.280  1.0
  Ti  Ti2  1  0.250  0.816  0.220  1.0
  Ti  Ti3  1  0.250  0.684  0.720  1.0
  Zn  Zn4  1  0.750  0.481  0.919  1.0
  Zn  Zn5  1  0.750  0.019  0.419  1.0
  Zn  Zn6  1  0.250  0.519  0.081  1.0
  Zn  Zn7  1  0.250  0.981  0.581  1.0
  Sn  Sn8  1  0.250  0.351  0.534  1.0
  Sn  Sn9  1  0.250  0.149  0.034  1.0
  Sn  Sn10  1  0.750  0.649  0.466  1.0
  Sn  Sn11  1  0.750  0.851  0.966  1.0
  O  O12  1  0.750  0.309  0.655  1.0
  O  O13  1  0.750  0.191  0.155  1.0
  O  O14  1  0.250  0.691  0.345  1.0
  O  O15  1  0.250  0.809  0.845  1.0
  O  O16  1  0.250  0.088  0.719  1.0
  O  O17  1  0.250  0.412  0.219  1.0
  O  O18  1  0.750  0.912  0.281  1.0
  O  O19  1  0.750  0.588  0.781  1.0
  O  O20  1  0.250  0.276  0.869  1.0
  O  O21  1  0.250  0.224  0.369  1.0
  O  O22  1  0.750  0.724  0.131  1.0
  O  O23  1  0.750  0.776  0.631  1.0
  O  O24  1  0.750  0.064  0.925  1.0
  O  O25  1  0.750  0.436  0.425  1.0
  O  O26  1  0.250  0.936  0.075  1.0
  O  O27  1  0.250  0.564  0.575  1.0
[/CIF]
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