The material structure described by MgWTe3O12 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Te(3)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the third Te site, Te(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Te(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one W(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Te(1), and one Te(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTe3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.319
_cell_length_b   4.923
_cell_length_c   8.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.658
_symmetry_Int_Tables_number   1
_cell_volume   233.207
_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  0.500  0.000  0.290  1.0
  Te  Te1  1  0.000  0.500  0.406  1.0
  Te  Te2  1  0.500  0.000  0.900  1.0
  Te  Te3  1  0.500  0.500  0.594  1.0
  W  W4  1  0.000  0.000  0.083  1.0
  O  O5  1  0.147  0.242  0.267  1.0
  O  O6  1  0.192  0.296  0.566  1.0
  O  O7  1  0.148  0.219  0.941  1.0
  O  O8  1  0.316  0.718  0.430  1.0
  O  O9  1  0.314  0.810  0.115  1.0
  O  O10  1  0.366  0.749  0.741  1.0
  O  O11  1  0.634  0.251  0.741  1.0
  O  O12  1  0.686  0.190  0.115  1.0
  O  O13  1  0.684  0.282  0.430  1.0
  O  O14  1  0.852  0.781  0.941  1.0
  O  O15  1  0.808  0.704  0.566  1.0
  O  O16  1  0.853  0.758  0.267  1.0
[/CIF]
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The material structure described by MgWTe3O12 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Te(3)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Te site, Te(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with two equivalent Te(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the third Te site, Te(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Te(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Te(1) and one Te(3) atom. In the third O site, O(3) is bonded in a water-like geometry to one W(1) and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Te(1), and one Te(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Te(2) and one Te(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTe3WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.319
_cell_length_b   4.923
_cell_length_c   8.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.658
_symmetry_Int_Tables_number   1
_cell_volume   233.207
_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  0.500  0.000  0.290  1.0
  Te  Te1  1  0.000  0.500  0.406  1.0
  Te  Te2  1  0.500  0.000  0.900  1.0
  Te  Te3  1  0.500  0.500  0.594  1.0
  W  W4  1  0.000  0.000  0.083  1.0
  O  O5  1  0.147  0.242  0.267  1.0
  O  O6  1  0.192  0.296  0.566  1.0
  O  O7  1  0.148  0.219  0.941  1.0
  O  O8  1  0.316  0.718  0.430  1.0
  O  O9  1  0.314  0.810  0.115  1.0
  O  O10  1  0.366  0.749  0.741  1.0
  O  O11  1  0.634  0.251  0.741  1.0
  O  O12  1  0.686  0.190  0.115  1.0
  O  O13  1  0.684  0.282  0.430  1.0
  O  O14  1  0.852  0.781  0.941  1.0
  O  O15  1  0.808  0.704  0.566  1.0
  O  O16  1  0.853  0.758  0.267  1.0
[/CIF]
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