The material described by MgTiWZn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Zn(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one W(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Zn(2)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent W(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one W(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one Zn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one W(1), one Zn(1), and one Zn(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 Zn(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one W(1), one Zn(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one W(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.337
_cell_length_b   5.295
_cell_length_c   8.017
_cell_angle_alpha   89.815
_cell_angle_beta   131.710
_cell_angle_gamma   120.479
_symmetry_Int_Tables_number   1
_cell_volume   124.562
_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  0.635  0.295  0.475  1.0
  Ti  Ti1  1  0.040  0.004  0.530  1.0
  Zn  Zn2  1  0.995  0.473  0.243  1.0
  Zn  Zn3  1  0.321  0.640  0.983  1.0
  W  W4  1  0.905  0.932  0.929  1.0
  O  O5  1  0.970  0.828  0.223  1.0
  O  O6  1  0.940  0.124  0.702  1.0
  O  O7  1  0.343  0.466  0.227  1.0
  O  O8  1  0.264  0.781  0.714  1.0
  O  O9  1  0.592  0.096  0.222  1.0
  O  O10  1  0.600  0.431  0.701  1.0
[/CIF]
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The material described by MgTiWZn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Zn(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one W(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share corners with three equivalent Zn(2)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent W(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one W(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one Zn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one W(1), one Zn(1), and one Zn(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 Zn(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one W(1), one Zn(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one W(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.337
_cell_length_b   5.295
_cell_length_c   8.017
_cell_angle_alpha   89.815
_cell_angle_beta   131.710
_cell_angle_gamma   120.479
_symmetry_Int_Tables_number   1
_cell_volume   124.562
_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  0.635  0.295  0.475  1.0
  Ti  Ti1  1  0.040  0.004  0.530  1.0
  Zn  Zn2  1  0.995  0.473  0.243  1.0
  Zn  Zn3  1  0.321  0.640  0.983  1.0
  W  W4  1  0.905  0.932  0.929  1.0
  O  O5  1  0.970  0.828  0.223  1.0
  O  O6  1  0.940  0.124  0.702  1.0
  O  O7  1  0.343  0.466  0.227  1.0
  O  O8  1  0.264  0.781  0.714  1.0
  O  O9  1  0.592  0.096  0.222  1.0
  O  O10  1  0.600  0.431  0.701  1.0
[/CIF]
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