The material structure described by Mg2TiWO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ti(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ti(1), and one W(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and one W(1) atom to form distorted corner-sharing OMg2TiW trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2TiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.230
_cell_length_c   9.159
_cell_angle_alpha   56.460
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.245
_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  0.051  0.263  0.745  1.0
  Mg  Mg1  1  0.551  0.737  0.755  1.0
  Mg  Mg2  1  0.949  0.737  0.255  1.0
  Mg  Mg3  1  0.449  0.263  0.245  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.319  0.744  0.571  1.0
  O  O9  1  0.819  0.256  0.929  1.0
  O  O10  1  0.681  0.256  0.429  1.0
  O  O11  1  0.181  0.744  0.071  1.0
  O  O12  1  0.193  0.404  0.431  1.0
  O  O13  1  0.693  0.596  0.069  1.0
  O  O14  1  0.807  0.596  0.569  1.0
  O  O15  1  0.307  0.404  0.931  1.0
  O  O16  1  0.435  0.124  0.746  1.0
  O  O17  1  0.935  0.876  0.754  1.0
  O  O18  1  0.065  0.124  0.246  1.0
  O  O19  1  0.565  0.876  0.254  1.0
[/CIF]
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The material structure described by Mg2TiWO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ti(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ti(1), and one W(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and one W(1) atom to form distorted corner-sharing OMg2TiW trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2TiWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.230
_cell_length_c   9.159
_cell_angle_alpha   56.460
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.245
_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  0.051  0.263  0.745  1.0
  Mg  Mg1  1  0.551  0.737  0.755  1.0
  Mg  Mg2  1  0.949  0.737  0.255  1.0
  Mg  Mg3  1  0.449  0.263  0.245  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.500  0.500  1.0
  W  W6  1  0.000  0.000  0.500  1.0
  W  W7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.319  0.744  0.571  1.0
  O  O9  1  0.819  0.256  0.929  1.0
  O  O10  1  0.681  0.256  0.429  1.0
  O  O11  1  0.181  0.744  0.071  1.0
  O  O12  1  0.193  0.404  0.431  1.0
  O  O13  1  0.693  0.596  0.069  1.0
  O  O14  1  0.807  0.596  0.569  1.0
  O  O15  1  0.307  0.404  0.931  1.0
  O  O16  1  0.435  0.124  0.746  1.0
  O  O17  1  0.935  0.876  0.754  1.0
  O  O18  1  0.065  0.124  0.246  1.0
  O  O19  1  0.565  0.876  0.254  1.0
[/CIF]
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