The crystal structure described by Ti3ZnO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O5 square pyramid and  an edgeedge with one Zn(1)O5 square pyramid. Zn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted ZnO5 square pyramids that share  a cornercorner with one Ti(2)O5 trigonal bipyramid and  an edgeedge with one Ti(2)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ti(2) and one Zn(1) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Zn(1) atom. In the third O site, O(1) is bonded to one Ti(2), two equivalent Ti(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti3ZnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   10.158
_cell_length_c   10.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.666
_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  0.736  0.694  0.966  1.0
  Ti  Ti1  1  0.236  0.806  0.034  1.0
  Ti  Ti2  1  0.264  0.306  0.466  1.0
  Ti  Ti3  1  0.764  0.194  0.534  1.0
  Ti  Ti4  1  0.727  0.775  0.250  1.0
  Ti  Ti5  1  0.227  0.725  0.750  1.0
  Ti  Ti6  1  0.273  0.225  0.750  1.0
  Ti  Ti7  1  0.773  0.275  0.250  1.0
  Ti  Ti8  1  0.236  0.806  0.466  1.0
  Ti  Ti9  1  0.736  0.694  0.534  1.0
  Ti  Ti10  1  0.764  0.194  0.966  1.0
  Ti  Ti11  1  0.264  0.306  0.034  1.0
  Zn  Zn12  1  0.398  0.042  0.250  1.0
  Zn  Zn13  1  0.898  0.458  0.750  1.0
  Zn  Zn14  1  0.602  0.958  0.750  1.0
  Zn  Zn15  1  0.102  0.542  0.250  1.0
  O  O16  1  0.027  0.289  0.878  1.0
  O  O17  1  0.527  0.211  0.122  1.0
  O  O18  1  0.973  0.711  0.378  1.0
  O  O19  1  0.473  0.789  0.622  1.0
  O  O20  1  0.973  0.711  0.122  1.0
  O  O21  1  0.473  0.789  0.878  1.0
  O  O22  1  0.027  0.289  0.622  1.0
  O  O23  1  0.527  0.211  0.378  1.0
  O  O24  1  0.493  0.278  0.886  1.0
  O  O25  1  0.993  0.222  0.114  1.0
  O  O26  1  0.507  0.722  0.386  1.0
  O  O27  1  0.007  0.778  0.614  1.0
  O  O28  1  0.507  0.722  0.114  1.0
  O  O29  1  0.007  0.778  0.886  1.0
  O  O30  1  0.493  0.278  0.614  1.0
  O  O31  1  0.993  0.222  0.386  1.0
  O  O32  1  0.792  0.442  0.250  1.0
  O  O33  1  0.292  0.058  0.750  1.0
  O  O34  1  0.208  0.558  0.750  1.0
  O  O35  1  0.708  0.942  0.250  1.0
  O  O36  1  0.759  0.040  0.599  1.0
  O  O37  1  0.259  0.460  0.401  1.0
  O  O38  1  0.241  0.960  0.099  1.0
  O  O39  1  0.741  0.540  0.901  1.0
  O  O40  1  0.241  0.960  0.401  1.0
  O  O41  1  0.741  0.540  0.599  1.0
  O  O42  1  0.759  0.040  0.901  1.0
  O  O43  1  0.259  0.460  0.099  1.0
[/CIF]
.
The crystal structure described by Ti3ZnO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O5 square pyramid and  an edgeedge with one Zn(1)O5 square pyramid. Zn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted ZnO5 square pyramids that share  a cornercorner with one Ti(2)O5 trigonal bipyramid and  an edgeedge with one Ti(2)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Ti(2) and one Zn(1) atom. In the second O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Zn(1) atom. In the third O site, O(1) is bonded to one Ti(2), two equivalent Ti(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the fourth O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Ti3ZnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.541
_cell_length_b   10.158
_cell_length_c   10.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.666
_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  0.736  0.694  0.966  1.0
  Ti  Ti1  1  0.236  0.806  0.034  1.0
  Ti  Ti2  1  0.264  0.306  0.466  1.0
  Ti  Ti3  1  0.764  0.194  0.534  1.0
  Ti  Ti4  1  0.727  0.775  0.250  1.0
  Ti  Ti5  1  0.227  0.725  0.750  1.0
  Ti  Ti6  1  0.273  0.225  0.750  1.0
  Ti  Ti7  1  0.773  0.275  0.250  1.0
  Ti  Ti8  1  0.236  0.806  0.466  1.0
  Ti  Ti9  1  0.736  0.694  0.534  1.0
  Ti  Ti10  1  0.764  0.194  0.966  1.0
  Ti  Ti11  1  0.264  0.306  0.034  1.0
  Zn  Zn12  1  0.398  0.042  0.250  1.0
  Zn  Zn13  1  0.898  0.458  0.750  1.0
  Zn  Zn14  1  0.602  0.958  0.750  1.0
  Zn  Zn15  1  0.102  0.542  0.250  1.0
  O  O16  1  0.027  0.289  0.878  1.0
  O  O17  1  0.527  0.211  0.122  1.0
  O  O18  1  0.973  0.711  0.378  1.0
  O  O19  1  0.473  0.789  0.622  1.0
  O  O20  1  0.973  0.711  0.122  1.0
  O  O21  1  0.473  0.789  0.878  1.0
  O  O22  1  0.027  0.289  0.622  1.0
  O  O23  1  0.527  0.211  0.378  1.0
  O  O24  1  0.493  0.278  0.886  1.0
  O  O25  1  0.993  0.222  0.114  1.0
  O  O26  1  0.507  0.722  0.386  1.0
  O  O27  1  0.007  0.778  0.614  1.0
  O  O28  1  0.507  0.722  0.114  1.0
  O  O29  1  0.007  0.778  0.886  1.0
  O  O30  1  0.493  0.278  0.614  1.0
  O  O31  1  0.993  0.222  0.386  1.0
  O  O32  1  0.792  0.442  0.250  1.0
  O  O33  1  0.292  0.058  0.750  1.0
  O  O34  1  0.208  0.558  0.750  1.0
  O  O35  1  0.708  0.942  0.250  1.0
  O  O36  1  0.759  0.040  0.599  1.0
  O  O37  1  0.259  0.460  0.401  1.0
  O  O38  1  0.241  0.960  0.099  1.0
  O  O39  1  0.741  0.540  0.901  1.0
  O  O40  1  0.241  0.960  0.401  1.0
  O  O41  1  0.741  0.540  0.599  1.0
  O  O42  1  0.759  0.040  0.901  1.0
  O  O43  1  0.259  0.460  0.099  1.0
[/CIF]
.