The compound described by Mg2TiO crystallizes in the triclinic P-1 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Mg(3), one Mg(7), two equivalent Mg(2), two equivalent Mg(4), one Ti(1), and one Ti(3) atom. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Mg(3), one Mg(7), two equivalent Mg(1), two equivalent Mg(4), one Ti(1), one Ti(2), and one Ti(4) atom. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Ti(1), and two equivalent Ti(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 9-coordinate geometry to one Mg(3), one Mg(7), two equivalent Mg(1), two equivalent Mg(2), one Ti(2), one Ti(3), and one Ti(4) atom. In the fifth Mg site, Mg(5) is bonded in a 8-coordinate geometry to one Mg(7), one Mg(9), two equivalent Mg(6), two equivalent Mg(8), one Ti(3), and one Ti(5) atom. In the sixth Mg site, Mg(6) is bonded in a 8-coordinate geometry to one Mg(7), one Mg(9), two equivalent Mg(5), two equivalent Mg(8), one Ti(4), and one Ti(6) atom. In the seventh Mg site, Mg(7) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Mg(8), two equivalent Ti(3), and two equivalent Ti(4) atoms. In the eighth Mg site, Mg(8) is bonded in a 10-coordinate geometry to one Mg(7), one Mg(9), two equivalent Mg(5), two equivalent Mg(6), one Ti(3), one Ti(4), one Ti(5), and one Ti(6) atom. In the ninth Mg site, Mg(9) is bonded in a 10-coordinate geometry to two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(8), two equivalent Ti(5), and two equivalent Ti(6) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a linear geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded in a linear geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent O(1) atoms. In the third Ti site, Ti(3) is bonded in a linear geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(8), two equivalent Mg(7), one O(2), and one O(3) atom. In the fourth Ti site, Ti(4) is bonded in a linear geometry to one Mg(2), one Mg(4), one Mg(6), one Mg(8), two equivalent Mg(7), one O(2), and one O(3) atom. In the fifth Ti site, Ti(5) is bonded in a linear geometry to two equivalent Mg(5), two equivalent Mg(8), two equivalent Mg(9), and two equivalent O(4) atoms. In the sixth Ti site, Ti(6) is bonded in a linear geometry to two equivalent Mg(6), two equivalent Mg(8), two equivalent Mg(9), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ti(3) and one Ti(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ti(3) and one Ti(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ti(5) and one Ti(6) atom. is represented by the CIF file [CIF]
data_Mg2TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   6.122
_cell_length_c   20.971
_cell_angle_alpha   82.083
_cell_angle_beta   82.368
_cell_angle_gamma   62.108
_symmetry_Int_Tables_number   1
_cell_volume   664.780
_cell_formula_units_Z   8
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  0.627  0.623  0.125  1.0
  Mg  Mg1  1  0.122  0.625  0.126  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.623  0.129  0.123  1.0
  Mg  Mg4  1  0.875  0.875  0.375  1.0
  Mg  Mg5  1  0.375  0.875  0.375  1.0
  Mg  Mg6  1  0.749  0.750  0.250  1.0
  Mg  Mg7  1  0.875  0.375  0.375  1.0
  Mg  Mg8  1  0.125  0.125  0.625  1.0
  Mg  Mg9  1  0.000  0.000  0.500  1.0
  Mg  Mg10  1  0.625  0.125  0.625  1.0
  Mg  Mg11  1  0.125  0.625  0.625  1.0
  Mg  Mg12  1  0.373  0.377  0.875  1.0
  Mg  Mg13  1  0.878  0.375  0.874  1.0
  Mg  Mg14  1  0.251  0.250  0.750  1.0
  Mg  Mg15  1  0.377  0.871  0.877  1.0
  Ti  Ti16  1  0.000  0.500  0.000  1.0
  Ti  Ti17  1  0.000  0.000  0.000  1.0
  Ti  Ti18  1  0.750  0.250  0.251  1.0
  Ti  Ti19  1  0.250  0.249  0.250  1.0
  Ti  Ti20  1  0.000  0.500  0.500  1.0
  Ti  Ti21  1  0.500  0.500  0.500  1.0
  Ti  Ti22  1  0.250  0.750  0.749  1.0
  Ti  Ti23  1  0.750  0.751  0.750  1.0
  O  O24  1  0.155  0.165  0.033  1.0
  O  O25  1  0.091  0.091  0.216  1.0
  O  O26  1  0.405  0.412  0.283  1.0
  O  O27  1  0.345  0.336  0.468  1.0
  O  O28  1  0.655  0.664  0.532  1.0
  O  O29  1  0.909  0.909  0.784  1.0
  O  O30  1  0.595  0.588  0.717  1.0
  O  O31  1  0.845  0.835  0.967  1.0
[/CIF]
.
The compound described by Mg2TiO crystallizes in the triclinic P-1 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Mg(3), one Mg(7), two equivalent Mg(2), two equivalent Mg(4), one Ti(1), and one Ti(3) atom. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Mg(3), one Mg(7), two equivalent Mg(1), two equivalent Mg(4), one Ti(1), one Ti(2), and one Ti(4) atom. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Ti(1), and two equivalent Ti(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 9-coordinate geometry to one Mg(3), one Mg(7), two equivalent Mg(1), two equivalent Mg(2), one Ti(2), one Ti(3), and one Ti(4) atom. In the fifth Mg site, Mg(5) is bonded in a 8-coordinate geometry to one Mg(7), one Mg(9), two equivalent Mg(6), two equivalent Mg(8), one Ti(3), and one Ti(5) atom. In the sixth Mg site, Mg(6) is bonded in a 8-coordinate geometry to one Mg(7), one Mg(9), two equivalent Mg(5), two equivalent Mg(8), one Ti(4), and one Ti(6) atom. In the seventh Mg site, Mg(7) is bonded in a 10-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Mg(5), one Mg(6), one Mg(8), two equivalent Ti(3), and two equivalent Ti(4) atoms. In the eighth Mg site, Mg(8) is bonded in a 10-coordinate geometry to one Mg(7), one Mg(9), two equivalent Mg(5), two equivalent Mg(6), one Ti(3), one Ti(4), one Ti(5), and one Ti(6) atom. In the ninth Mg site, Mg(9) is bonded in a 10-coordinate geometry to two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(8), two equivalent Ti(5), and two equivalent Ti(6) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a linear geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded in a linear geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent O(1) atoms. In the third Ti site, Ti(3) is bonded in a linear geometry to one Mg(1), one Mg(4), one Mg(5), one Mg(8), two equivalent Mg(7), one O(2), and one O(3) atom. In the fourth Ti site, Ti(4) is bonded in a linear geometry to one Mg(2), one Mg(4), one Mg(6), one Mg(8), two equivalent Mg(7), one O(2), and one O(3) atom. In the fifth Ti site, Ti(5) is bonded in a linear geometry to two equivalent Mg(5), two equivalent Mg(8), two equivalent Mg(9), and two equivalent O(4) atoms. In the sixth Ti site, Ti(6) is bonded in a linear geometry to two equivalent Mg(6), two equivalent Mg(8), two equivalent Mg(9), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ti(3) and one Ti(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ti(3) and one Ti(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ti(5) and one Ti(6) atom. is represented by the CIF file [CIF]
data_Mg2TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   6.122
_cell_length_c   20.971
_cell_angle_alpha   82.083
_cell_angle_beta   82.368
_cell_angle_gamma   62.108
_symmetry_Int_Tables_number   1
_cell_volume   664.780
_cell_formula_units_Z   8
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  0.627  0.623  0.125  1.0
  Mg  Mg1  1  0.122  0.625  0.126  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.623  0.129  0.123  1.0
  Mg  Mg4  1  0.875  0.875  0.375  1.0
  Mg  Mg5  1  0.375  0.875  0.375  1.0
  Mg  Mg6  1  0.749  0.750  0.250  1.0
  Mg  Mg7  1  0.875  0.375  0.375  1.0
  Mg  Mg8  1  0.125  0.125  0.625  1.0
  Mg  Mg9  1  0.000  0.000  0.500  1.0
  Mg  Mg10  1  0.625  0.125  0.625  1.0
  Mg  Mg11  1  0.125  0.625  0.625  1.0
  Mg  Mg12  1  0.373  0.377  0.875  1.0
  Mg  Mg13  1  0.878  0.375  0.874  1.0
  Mg  Mg14  1  0.251  0.250  0.750  1.0
  Mg  Mg15  1  0.377  0.871  0.877  1.0
  Ti  Ti16  1  0.000  0.500  0.000  1.0
  Ti  Ti17  1  0.000  0.000  0.000  1.0
  Ti  Ti18  1  0.750  0.250  0.251  1.0
  Ti  Ti19  1  0.250  0.249  0.250  1.0
  Ti  Ti20  1  0.000  0.500  0.500  1.0
  Ti  Ti21  1  0.500  0.500  0.500  1.0
  Ti  Ti22  1  0.250  0.750  0.749  1.0
  Ti  Ti23  1  0.750  0.751  0.750  1.0
  O  O24  1  0.155  0.165  0.033  1.0
  O  O25  1  0.091  0.091  0.216  1.0
  O  O26  1  0.405  0.412  0.283  1.0
  O  O27  1  0.345  0.336  0.468  1.0
  O  O28  1  0.655  0.664  0.532  1.0
  O  O29  1  0.909  0.909  0.784  1.0
  O  O30  1  0.595  0.588  0.717  1.0
  O  O31  1  0.845  0.835  0.967  1.0
[/CIF]
.