The crystal structure described by MgBi(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. There are eight 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 Bi(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one W(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one W(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one W(1), one W(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_MgBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   6.084
_cell_length_c   7.454
_cell_angle_alpha   125.704
_cell_angle_beta   113.455
_cell_angle_gamma   88.055
_symmetry_Int_Tables_number   1
_cell_volume   176.306
_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  0.397  0.651  0.677  1.0
  Bi  Bi1  1  0.108  0.187  0.046  1.0
  W  W2  1  0.857  0.367  0.597  1.0
  W  W3  1  0.379  0.066  0.584  1.0
  O  O4  1  0.128  0.745  0.817  1.0
  O  O5  1  0.588  0.399  0.373  1.0
  O  O6  1  0.150  0.243  0.781  1.0
  O  O7  1  0.584  0.981  0.412  1.0
  O  O8  1  0.620  0.038  0.837  1.0
  O  O9  1  0.172  0.707  0.397  1.0
  O  O10  1  0.129  0.228  0.430  1.0
  O  O11  1  0.661  0.470  0.803  1.0
[/CIF]
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The crystal structure described by MgBi(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. There are eight 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 Bi(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one W(1) and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(1), one W(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one W(1), one W(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one W(2) atom. is represented by the CIF card [CIF]
data_MgBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   6.084
_cell_length_c   7.454
_cell_angle_alpha   125.704
_cell_angle_beta   113.455
_cell_angle_gamma   88.055
_symmetry_Int_Tables_number   1
_cell_volume   176.306
_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  0.397  0.651  0.677  1.0
  Bi  Bi1  1  0.108  0.187  0.046  1.0
  W  W2  1  0.857  0.367  0.597  1.0
  W  W3  1  0.379  0.066  0.584  1.0
  O  O4  1  0.128  0.745  0.817  1.0
  O  O5  1  0.588  0.399  0.373  1.0
  O  O6  1  0.150  0.243  0.781  1.0
  O  O7  1  0.584  0.981  0.412  1.0
  O  O8  1  0.620  0.038  0.837  1.0
  O  O9  1  0.172  0.707  0.397  1.0
  O  O10  1  0.129  0.228  0.430  1.0
  O  O11  1  0.661  0.470  0.803  1.0
[/CIF]
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