The structure described by MgTi(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one W(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one W(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one W(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.003
_cell_length_b   6.815
_cell_length_c   6.399
_cell_angle_alpha   105.959
_cell_angle_beta   125.566
_cell_angle_gamma   91.395
_symmetry_Int_Tables_number   1
_cell_volume   165.840
_cell_formula_units_Z   1
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  0.589  0.878  0.082  1.0
  Ti  Ti1  1  0.127  0.247  0.107  1.0
  W  W2  1  0.915  0.384  0.622  1.0
  W  W3  1  0.358  0.062  0.582  1.0
  O  O4  1  0.202  0.637  0.825  1.0
  O  O5  1  0.498  0.462  0.349  1.0
  O  O6  1  0.199  0.182  0.816  1.0
  O  O7  1  0.498  0.077  0.332  1.0
  O  O8  1  0.726  0.983  0.882  1.0
  O  O9  1  0.032  0.824  0.344  1.0
  O  O10  1  0.055  0.257  0.385  1.0
  O  O11  1  0.759  0.351  0.844  1.0
[/CIF]
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The structure described by MgTi(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with three equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-70°. Ti(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one W(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mg(1) and one W(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one W(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.003
_cell_length_b   6.815
_cell_length_c   6.399
_cell_angle_alpha   105.959
_cell_angle_beta   125.566
_cell_angle_gamma   91.395
_symmetry_Int_Tables_number   1
_cell_volume   165.840
_cell_formula_units_Z   1
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  0.589  0.878  0.082  1.0
  Ti  Ti1  1  0.127  0.247  0.107  1.0
  W  W2  1  0.915  0.384  0.622  1.0
  W  W3  1  0.358  0.062  0.582  1.0
  O  O4  1  0.202  0.637  0.825  1.0
  O  O5  1  0.498  0.462  0.349  1.0
  O  O6  1  0.199  0.182  0.816  1.0
  O  O7  1  0.498  0.077  0.332  1.0
  O  O8  1  0.726  0.983  0.882  1.0
  O  O9  1  0.032  0.824  0.344  1.0
  O  O10  1  0.055  0.257  0.385  1.0
  O  O11  1  0.759  0.351  0.844  1.0
[/CIF]
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