The crystal structure described by TiZnSnO4 crystallizes in the hexagonal P6_3 space group. Ti(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TiO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with four equivalent Ti(1)O4 tetrahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one Ti(1), one Zn(1), and one Sn(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Sn(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Sn(2) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.314
_cell_length_b   9.314
_cell_length_c   9.272
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   696.591
_cell_formula_units_Z   6
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  0.691  0.674  0.927  1.0
  Ti  Ti1  1  0.983  0.309  0.927  1.0
  Ti  Ti2  1  0.326  0.017  0.927  1.0
  Ti  Ti3  1  0.309  0.326  0.427  1.0
  Ti  Ti4  1  0.017  0.691  0.427  1.0
  Ti  Ti5  1  0.674  0.983  0.427  1.0
  Zn  Zn6  1  0.023  0.668  0.050  1.0
  Zn  Zn7  1  0.645  0.977  0.050  1.0
  Zn  Zn8  1  0.332  0.355  0.050  1.0
  Zn  Zn9  1  0.977  0.332  0.550  1.0
  Zn  Zn10  1  0.355  0.023  0.550  1.0
  Zn  Zn11  1  0.668  0.645  0.550  1.0
  Sn  Sn12  1  0.000  0.000  0.671  1.0
  Sn  Sn13  1  0.000  0.000  0.171  1.0
  Sn  Sn14  1  0.667  0.333  0.831  1.0
  Sn  Sn15  1  0.333  0.667  0.331  1.0
  Sn  Sn16  1  0.333  0.667  0.795  1.0
  Sn  Sn17  1  0.667  0.333  0.295  1.0
  O  O18  1  0.886  0.780  0.033  1.0
  O  O19  1  0.894  0.114  0.033  1.0
  O  O20  1  0.220  0.106  0.033  1.0
  O  O21  1  0.114  0.220  0.533  1.0
  O  O22  1  0.106  0.886  0.533  1.0
  O  O23  1  0.780  0.894  0.533  1.0
  O  O24  1  0.563  0.456  0.986  1.0
  O  O25  1  0.893  0.437  0.986  1.0
  O  O26  1  0.544  0.107  0.986  1.0
  O  O27  1  0.437  0.544  0.486  1.0
  O  O28  1  0.107  0.563  0.486  1.0
  O  O29  1  0.456  0.893  0.486  1.0
  O  O30  1  0.560  0.773  0.925  1.0
  O  O31  1  0.213  0.440  0.925  1.0
  O  O32  1  0.227  0.787  0.925  1.0
  O  O33  1  0.440  0.227  0.425  1.0
  O  O34  1  0.787  0.560  0.425  1.0
  O  O35  1  0.773  0.213  0.425  1.0
  O  O36  1  0.102  0.742  0.247  1.0
  O  O37  1  0.641  0.898  0.247  1.0
  O  O38  1  0.258  0.359  0.247  1.0
  O  O39  1  0.898  0.258  0.747  1.0
  O  O40  1  0.359  0.102  0.747  1.0
  O  O41  1  0.742  0.641  0.747  1.0
[/CIF]
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The crystal structure described by TiZnSnO4 crystallizes in the hexagonal P6_3 space group. Ti(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TiO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with four equivalent Ti(1)O4 tetrahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(4) atoms. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to one Ti(1), one Zn(1), and one Sn(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Sn(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Sn(2) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.314
_cell_length_b   9.314
_cell_length_c   9.272
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   696.591
_cell_formula_units_Z   6
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  0.691  0.674  0.927  1.0
  Ti  Ti1  1  0.983  0.309  0.927  1.0
  Ti  Ti2  1  0.326  0.017  0.927  1.0
  Ti  Ti3  1  0.309  0.326  0.427  1.0
  Ti  Ti4  1  0.017  0.691  0.427  1.0
  Ti  Ti5  1  0.674  0.983  0.427  1.0
  Zn  Zn6  1  0.023  0.668  0.050  1.0
  Zn  Zn7  1  0.645  0.977  0.050  1.0
  Zn  Zn8  1  0.332  0.355  0.050  1.0
  Zn  Zn9  1  0.977  0.332  0.550  1.0
  Zn  Zn10  1  0.355  0.023  0.550  1.0
  Zn  Zn11  1  0.668  0.645  0.550  1.0
  Sn  Sn12  1  0.000  0.000  0.671  1.0
  Sn  Sn13  1  0.000  0.000  0.171  1.0
  Sn  Sn14  1  0.667  0.333  0.831  1.0
  Sn  Sn15  1  0.333  0.667  0.331  1.0
  Sn  Sn16  1  0.333  0.667  0.795  1.0
  Sn  Sn17  1  0.667  0.333  0.295  1.0
  O  O18  1  0.886  0.780  0.033  1.0
  O  O19  1  0.894  0.114  0.033  1.0
  O  O20  1  0.220  0.106  0.033  1.0
  O  O21  1  0.114  0.220  0.533  1.0
  O  O22  1  0.106  0.886  0.533  1.0
  O  O23  1  0.780  0.894  0.533  1.0
  O  O24  1  0.563  0.456  0.986  1.0
  O  O25  1  0.893  0.437  0.986  1.0
  O  O26  1  0.544  0.107  0.986  1.0
  O  O27  1  0.437  0.544  0.486  1.0
  O  O28  1  0.107  0.563  0.486  1.0
  O  O29  1  0.456  0.893  0.486  1.0
  O  O30  1  0.560  0.773  0.925  1.0
  O  O31  1  0.213  0.440  0.925  1.0
  O  O32  1  0.227  0.787  0.925  1.0
  O  O33  1  0.440  0.227  0.425  1.0
  O  O34  1  0.787  0.560  0.425  1.0
  O  O35  1  0.773  0.213  0.425  1.0
  O  O36  1  0.102  0.742  0.247  1.0
  O  O37  1  0.641  0.898  0.247  1.0
  O  O38  1  0.258  0.359  0.247  1.0
  O  O39  1  0.898  0.258  0.747  1.0
  O  O40  1  0.359  0.102  0.747  1.0
  O  O41  1  0.742  0.641  0.747  1.0
[/CIF]
.