The structure described by MgTi(SiO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ti(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   6.770
_cell_length_c   5.221
_cell_angle_alpha   77.809
_cell_angle_beta   77.809
_cell_angle_gamma   85.546
_symmetry_Int_Tables_number   1
_cell_volume   228.451
_cell_formula_units_Z   2
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  0.742  0.258  0.750  1.0
  Mg  Mg1  1  0.258  0.742  0.250  1.0
  Ti  Ti2  1  0.918  0.082  0.250  1.0
  Ti  Ti3  1  0.082  0.918  0.750  1.0
  Si  Si4  1  0.392  0.208  0.246  1.0
  Si  Si5  1  0.792  0.608  0.254  1.0
  Si  Si6  1  0.208  0.392  0.746  1.0
  Si  Si7  1  0.608  0.792  0.754  1.0
  O  O8  1  0.383  0.318  0.505  1.0
  O  O9  1  0.682  0.617  0.995  1.0
  O  O10  1  0.617  0.682  0.495  1.0
  O  O11  1  0.318  0.383  0.005  1.0
  O  O12  1  0.623  0.144  0.130  1.0
  O  O13  1  0.856  0.377  0.370  1.0
  O  O14  1  0.377  0.856  0.870  1.0
  O  O15  1  0.144  0.623  0.630  1.0
  O  O16  1  0.025  0.230  0.841  1.0
  O  O17  1  0.770  0.975  0.659  1.0
  O  O18  1  0.230  0.025  0.341  1.0
  O  O19  1  0.975  0.770  0.159  1.0
[/CIF]
.
The structure described by MgTi(SiO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ti(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   6.770
_cell_length_c   5.221
_cell_angle_alpha   77.809
_cell_angle_beta   77.809
_cell_angle_gamma   85.546
_symmetry_Int_Tables_number   1
_cell_volume   228.451
_cell_formula_units_Z   2
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  0.742  0.258  0.750  1.0
  Mg  Mg1  1  0.258  0.742  0.250  1.0
  Ti  Ti2  1  0.918  0.082  0.250  1.0
  Ti  Ti3  1  0.082  0.918  0.750  1.0
  Si  Si4  1  0.392  0.208  0.246  1.0
  Si  Si5  1  0.792  0.608  0.254  1.0
  Si  Si6  1  0.208  0.392  0.746  1.0
  Si  Si7  1  0.608  0.792  0.754  1.0
  O  O8  1  0.383  0.318  0.505  1.0
  O  O9  1  0.682  0.617  0.995  1.0
  O  O10  1  0.617  0.682  0.495  1.0
  O  O11  1  0.318  0.383  0.005  1.0
  O  O12  1  0.623  0.144  0.130  1.0
  O  O13  1  0.856  0.377  0.370  1.0
  O  O14  1  0.377  0.856  0.870  1.0
  O  O15  1  0.144  0.623  0.630  1.0
  O  O16  1  0.025  0.230  0.841  1.0
  O  O17  1  0.770  0.975  0.659  1.0
  O  O18  1  0.230  0.025  0.341  1.0
  O  O19  1  0.975  0.770  0.159  1.0
[/CIF]
.