The compound 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 Ti(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent W(1)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-49°. 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 Mg(1)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. 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 Zn(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. There are two inequivalent Zn sites. In the first Zn site, Zn(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 ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one W(1), and one Zn(1) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one Zn(1) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one Zn(1) atom. In the sixth O site, O(6) 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. is represented by the CIF card [CIF]
data_MgTiZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.340
_cell_length_c   7.873
_cell_angle_alpha   90.851
_cell_angle_beta   130.470
_cell_angle_gamma   119.989
_symmetry_Int_Tables_number   1
_cell_volume   125.287
_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  0.627  0.292  0.967  1.0
  Ti  Ti1  1  0.882  0.924  0.407  1.0
  Zn  Zn2  1  0.293  0.621  0.471  1.0
  Zn  Zn3  1  0.969  0.461  0.725  1.0
  W  W4  1  0.013  0.988  0.009  1.0
  O  O5  1  0.948  0.779  0.226  1.0
  O  O6  1  0.979  0.098  0.723  1.0
  O  O7  1  0.281  0.479  0.215  1.0
  O  O8  1  0.336  0.832  0.728  1.0
  O  O9  1  0.653  0.138  0.230  1.0
  O  O10  1  0.597  0.458  0.724  1.0
[/CIF]
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The compound 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 Ti(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent W(1)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-49°. 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 Mg(1)O6 octahedra, corners with six equivalent W(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. 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 Zn(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. There are two inequivalent Zn sites. In the first Zn site, Zn(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 ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent W(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-53°. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one W(1), and one Zn(1) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one Zn(1) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one W(1), and one Zn(1) atom. In the sixth O site, O(6) 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. is represented by the CIF card [CIF]
data_MgTiZn2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.340
_cell_length_c   7.873
_cell_angle_alpha   90.851
_cell_angle_beta   130.470
_cell_angle_gamma   119.989
_symmetry_Int_Tables_number   1
_cell_volume   125.287
_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  0.627  0.292  0.967  1.0
  Ti  Ti1  1  0.882  0.924  0.407  1.0
  Zn  Zn2  1  0.293  0.621  0.471  1.0
  Zn  Zn3  1  0.969  0.461  0.725  1.0
  W  W4  1  0.013  0.988  0.009  1.0
  O  O5  1  0.948  0.779  0.226  1.0
  O  O6  1  0.979  0.098  0.723  1.0
  O  O7  1  0.281  0.479  0.215  1.0
  O  O8  1  0.336  0.832  0.728  1.0
  O  O9  1  0.653  0.138  0.230  1.0
  O  O10  1  0.597  0.458  0.724  1.0
[/CIF]
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