The material described by MgTe2(WO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form distorted WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. In the second W site, W(2) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second Te site, Te(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted TeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(2) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one W(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one W(2) and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Te(2) atom. is represented by the CIF card [CIF]
data_MgTe2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.168
_cell_length_b   5.596
_cell_length_c   7.705
_cell_angle_alpha   88.165
_cell_angle_beta   91.824
_cell_angle_gamma   89.934
_symmetry_Int_Tables_number   1
_cell_volume   222.563
_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  0.017  0.917  0.728  1.0
  Te  Te1  1  0.509  0.993  0.997  1.0
  Te  Te2  1  0.986  0.475  0.505  1.0
  W  W3  1  0.491  0.002  0.482  1.0
  W  W4  1  0.008  0.482  0.007  1.0
  O  O5  1  0.640  0.316  0.474  1.0
  O  O6  1  0.773  0.752  0.059  1.0
  O  O7  1  0.299  0.744  0.567  1.0
  O  O8  1  0.218  0.211  0.926  1.0
  O  O9  1  0.172  0.178  0.571  1.0
  O  O10  1  0.256  0.752  0.927  1.0
  O  O11  1  0.803  0.850  0.479  1.0
  O  O12  1  0.732  0.261  0.061  1.0
  O  O13  1  0.175  0.470  0.211  1.0
  O  O14  1  0.396  0.981  0.242  1.0
  O  O15  1  0.640  0.018  0.766  1.0
  O  O16  1  0.910  0.536  0.749  1.0
[/CIF]
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The material described by MgTe2(WO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form distorted WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. In the second W site, W(2) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second Te site, Te(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted TeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Te(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(2) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one W(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one W(2) and one Te(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one W(1) and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Te(2) atom. is represented by the CIF card [CIF]
data_MgTe2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.168
_cell_length_b   5.596
_cell_length_c   7.705
_cell_angle_alpha   88.165
_cell_angle_beta   91.824
_cell_angle_gamma   89.934
_symmetry_Int_Tables_number   1
_cell_volume   222.563
_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  0.017  0.917  0.728  1.0
  Te  Te1  1  0.509  0.993  0.997  1.0
  Te  Te2  1  0.986  0.475  0.505  1.0
  W  W3  1  0.491  0.002  0.482  1.0
  W  W4  1  0.008  0.482  0.007  1.0
  O  O5  1  0.640  0.316  0.474  1.0
  O  O6  1  0.773  0.752  0.059  1.0
  O  O7  1  0.299  0.744  0.567  1.0
  O  O8  1  0.218  0.211  0.926  1.0
  O  O9  1  0.172  0.178  0.571  1.0
  O  O10  1  0.256  0.752  0.927  1.0
  O  O11  1  0.803  0.850  0.479  1.0
  O  O12  1  0.732  0.261  0.061  1.0
  O  O13  1  0.175  0.470  0.211  1.0
  O  O14  1  0.396  0.981  0.242  1.0
  O  O15  1  0.640  0.018  0.766  1.0
  O  O16  1  0.910  0.536  0.749  1.0
[/CIF]
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