The structure described by Ti2ZnSnO6 crystallizes in the tetragonal P4_2/nmc space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-38°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. Sn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Zn(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Sn(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Zn(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2ZnSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.748
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.828
_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  0.250  0.250  1.0
  Ti  Ti1  1  0.250  0.250  0.250  1.0
  Ti  Ti2  1  0.750  0.750  0.250  1.0
  Ti  Ti3  1  0.250  0.750  0.250  1.0
  Ti  Ti4  1  0.750  0.250  0.750  1.0
  Ti  Ti5  1  0.250  0.250  0.750  1.0
  Ti  Ti6  1  0.750  0.750  0.750  1.0
  Ti  Ti7  1  0.250  0.750  0.750  1.0
  Zn  Zn8  1  0.000  0.000  0.000  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  Zn  Zn10  1  0.000  0.000  0.500  1.0
  Zn  Zn11  1  0.500  0.500  0.000  1.0
  Sn  Sn12  1  0.000  0.500  0.022  1.0
  Sn  Sn13  1  0.000  0.500  0.522  1.0
  Sn  Sn14  1  0.500  0.000  0.478  1.0
  Sn  Sn15  1  0.500  0.000  0.978  1.0
  O  O16  1  0.000  0.699  0.786  1.0
  O  O17  1  0.000  0.301  0.786  1.0
  O  O18  1  0.199  0.500  0.286  1.0
  O  O19  1  0.801  0.500  0.286  1.0
  O  O20  1  0.500  0.801  0.714  1.0
  O  O21  1  0.500  0.199  0.714  1.0
  O  O22  1  0.301  0.000  0.214  1.0
  O  O23  1  0.699  0.000  0.214  1.0
  O  O24  1  0.300  0.500  0.681  1.0
  O  O25  1  0.700  0.500  0.681  1.0
  O  O26  1  0.000  0.800  0.181  1.0
  O  O27  1  0.000  0.200  0.181  1.0
  O  O28  1  0.200  0.000  0.819  1.0
  O  O29  1  0.800  0.000  0.819  1.0
  O  O30  1  0.500  0.700  0.319  1.0
  O  O31  1  0.500  0.300  0.319  1.0
  O  O32  1  0.694  0.694  0.000  1.0
  O  O33  1  0.306  0.694  0.000  1.0
  O  O34  1  0.694  0.306  0.000  1.0
  O  O35  1  0.306  0.306  0.000  1.0
  O  O36  1  0.194  0.194  0.500  1.0
  O  O37  1  0.806  0.194  0.500  1.0
  O  O38  1  0.194  0.806  0.500  1.0
  O  O39  1  0.806  0.806  0.500  1.0
[/CIF]
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The structure described by Ti2ZnSnO6 crystallizes in the tetragonal P4_2/nmc space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-38°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with eight equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 71°. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. Sn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Zn(2) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Sn(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ti(1), one Zn(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2ZnSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.748
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   450.828
_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  0.250  0.250  1.0
  Ti  Ti1  1  0.250  0.250  0.250  1.0
  Ti  Ti2  1  0.750  0.750  0.250  1.0
  Ti  Ti3  1  0.250  0.750  0.250  1.0
  Ti  Ti4  1  0.750  0.250  0.750  1.0
  Ti  Ti5  1  0.250  0.250  0.750  1.0
  Ti  Ti6  1  0.750  0.750  0.750  1.0
  Ti  Ti7  1  0.250  0.750  0.750  1.0
  Zn  Zn8  1  0.000  0.000  0.000  1.0
  Zn  Zn9  1  0.500  0.500  0.500  1.0
  Zn  Zn10  1  0.000  0.000  0.500  1.0
  Zn  Zn11  1  0.500  0.500  0.000  1.0
  Sn  Sn12  1  0.000  0.500  0.022  1.0
  Sn  Sn13  1  0.000  0.500  0.522  1.0
  Sn  Sn14  1  0.500  0.000  0.478  1.0
  Sn  Sn15  1  0.500  0.000  0.978  1.0
  O  O16  1  0.000  0.699  0.786  1.0
  O  O17  1  0.000  0.301  0.786  1.0
  O  O18  1  0.199  0.500  0.286  1.0
  O  O19  1  0.801  0.500  0.286  1.0
  O  O20  1  0.500  0.801  0.714  1.0
  O  O21  1  0.500  0.199  0.714  1.0
  O  O22  1  0.301  0.000  0.214  1.0
  O  O23  1  0.699  0.000  0.214  1.0
  O  O24  1  0.300  0.500  0.681  1.0
  O  O25  1  0.700  0.500  0.681  1.0
  O  O26  1  0.000  0.800  0.181  1.0
  O  O27  1  0.000  0.200  0.181  1.0
  O  O28  1  0.200  0.000  0.819  1.0
  O  O29  1  0.800  0.000  0.819  1.0
  O  O30  1  0.500  0.700  0.319  1.0
  O  O31  1  0.500  0.300  0.319  1.0
  O  O32  1  0.694  0.694  0.000  1.0
  O  O33  1  0.306  0.694  0.000  1.0
  O  O34  1  0.694  0.306  0.000  1.0
  O  O35  1  0.306  0.306  0.000  1.0
  O  O36  1  0.194  0.194  0.500  1.0
  O  O37  1  0.806  0.194  0.500  1.0
  O  O38  1  0.194  0.806  0.500  1.0
  O  O39  1  0.806  0.806  0.500  1.0
[/CIF]
.