The material described by MgTi3O7 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MgO5 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 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 Mg(1)O5 square pyramid and  an edgeedge with one Mg(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Ti(1) atom. In the third O site, O(1) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi3 tetrahedra. In the fourth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_MgTi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   10.145
_cell_length_c   10.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   574.010
_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
  Mg  Mg0  1  0.373  0.061  0.250  1.0
  Mg  Mg1  1  0.873  0.439  0.750  1.0
  Mg  Mg2  1  0.627  0.939  0.750  1.0
  Mg  Mg3  1  0.127  0.561  0.250  1.0
  Ti  Ti4  1  0.711  0.687  0.969  1.0
  Ti  Ti5  1  0.211  0.813  0.031  1.0
  Ti  Ti6  1  0.289  0.313  0.469  1.0
  Ti  Ti7  1  0.789  0.187  0.531  1.0
  Ti  Ti8  1  0.700  0.779  0.250  1.0
  Ti  Ti9  1  0.200  0.721  0.750  1.0
  Ti  Ti10  1  0.300  0.221  0.750  1.0
  Ti  Ti11  1  0.800  0.279  0.250  1.0
  Ti  Ti12  1  0.211  0.813  0.469  1.0
  Ti  Ti13  1  0.711  0.687  0.531  1.0
  Ti  Ti14  1  0.789  0.187  0.969  1.0
  Ti  Ti15  1  0.289  0.313  0.031  1.0
  O  O16  1  0.050  0.287  0.878  1.0
  O  O17  1  0.550  0.213  0.122  1.0
  O  O18  1  0.950  0.713  0.378  1.0
  O  O19  1  0.450  0.787  0.622  1.0
  O  O20  1  0.950  0.713  0.122  1.0
  O  O21  1  0.450  0.787  0.878  1.0
  O  O22  1  0.050  0.287  0.622  1.0
  O  O23  1  0.550  0.213  0.378  1.0
  O  O24  1  0.527  0.281  0.883  1.0
  O  O25  1  0.027  0.219  0.117  1.0
  O  O26  1  0.473  0.719  0.383  1.0
  O  O27  1  0.973  0.781  0.617  1.0
  O  O28  1  0.473  0.719  0.117  1.0
  O  O29  1  0.973  0.781  0.883  1.0
  O  O30  1  0.527  0.281  0.617  1.0
  O  O31  1  0.027  0.219  0.383  1.0
  O  O32  1  0.820  0.446  0.250  1.0
  O  O33  1  0.320  0.054  0.750  1.0
  O  O34  1  0.180  0.554  0.750  1.0
  O  O35  1  0.680  0.946  0.250  1.0
  O  O36  1  0.777  0.035  0.598  1.0
  O  O37  1  0.277  0.465  0.402  1.0
  O  O38  1  0.223  0.965  0.098  1.0
  O  O39  1  0.723  0.535  0.902  1.0
  O  O40  1  0.223  0.965  0.402  1.0
  O  O41  1  0.723  0.535  0.598  1.0
  O  O42  1  0.777  0.035  0.902  1.0
  O  O43  1  0.277  0.465  0.098  1.0
[/CIF]
.
The material described by MgTi3O7 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MgO5 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 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 Mg(1)O5 square pyramid and  an edgeedge with one Mg(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Ti(1) atom. In the third O site, O(1) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of distorted edge and corner-sharing OMgTi3 tetrahedra. In the fourth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_MgTi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   10.145
_cell_length_c   10.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   574.010
_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
  Mg  Mg0  1  0.373  0.061  0.250  1.0
  Mg  Mg1  1  0.873  0.439  0.750  1.0
  Mg  Mg2  1  0.627  0.939  0.750  1.0
  Mg  Mg3  1  0.127  0.561  0.250  1.0
  Ti  Ti4  1  0.711  0.687  0.969  1.0
  Ti  Ti5  1  0.211  0.813  0.031  1.0
  Ti  Ti6  1  0.289  0.313  0.469  1.0
  Ti  Ti7  1  0.789  0.187  0.531  1.0
  Ti  Ti8  1  0.700  0.779  0.250  1.0
  Ti  Ti9  1  0.200  0.721  0.750  1.0
  Ti  Ti10  1  0.300  0.221  0.750  1.0
  Ti  Ti11  1  0.800  0.279  0.250  1.0
  Ti  Ti12  1  0.211  0.813  0.469  1.0
  Ti  Ti13  1  0.711  0.687  0.531  1.0
  Ti  Ti14  1  0.789  0.187  0.969  1.0
  Ti  Ti15  1  0.289  0.313  0.031  1.0
  O  O16  1  0.050  0.287  0.878  1.0
  O  O17  1  0.550  0.213  0.122  1.0
  O  O18  1  0.950  0.713  0.378  1.0
  O  O19  1  0.450  0.787  0.622  1.0
  O  O20  1  0.950  0.713  0.122  1.0
  O  O21  1  0.450  0.787  0.878  1.0
  O  O22  1  0.050  0.287  0.622  1.0
  O  O23  1  0.550  0.213  0.378  1.0
  O  O24  1  0.527  0.281  0.883  1.0
  O  O25  1  0.027  0.219  0.117  1.0
  O  O26  1  0.473  0.719  0.383  1.0
  O  O27  1  0.973  0.781  0.617  1.0
  O  O28  1  0.473  0.719  0.117  1.0
  O  O29  1  0.973  0.781  0.883  1.0
  O  O30  1  0.527  0.281  0.617  1.0
  O  O31  1  0.027  0.219  0.383  1.0
  O  O32  1  0.820  0.446  0.250  1.0
  O  O33  1  0.320  0.054  0.750  1.0
  O  O34  1  0.180  0.554  0.750  1.0
  O  O35  1  0.680  0.946  0.250  1.0
  O  O36  1  0.777  0.035  0.598  1.0
  O  O37  1  0.277  0.465  0.402  1.0
  O  O38  1  0.223  0.965  0.098  1.0
  O  O39  1  0.723  0.535  0.902  1.0
  O  O40  1  0.223  0.965  0.402  1.0
  O  O41  1  0.723  0.535  0.598  1.0
  O  O42  1  0.777  0.035  0.902  1.0
  O  O43  1  0.277  0.465  0.098  1.0
[/CIF]
.