The structure described by MgBi(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), 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 distorted 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 42-57°. 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 49-62°. 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 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 42-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Bi(1) atom. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one W(2) and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   6.062
_cell_length_c   7.135
_cell_angle_alpha   124.804
_cell_angle_beta   113.887
_cell_angle_gamma   89.798
_symmetry_Int_Tables_number   1
_cell_volume   162.821
_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  0.640  0.611  0.142  1.0
  Bi  Bi1  1  0.122  0.224  0.103  1.0
  W  W2  1  0.877  0.396  0.612  1.0
  W  W3  1  0.374  0.046  0.581  1.0
  O  O4  1  0.132  0.744  0.845  1.0
  O  O5  1  0.634  0.439  0.365  1.0
  O  O6  1  0.193  0.294  0.837  1.0
  O  O7  1  0.584  0.973  0.383  1.0
  O  O8  1  0.620  0.042  0.849  1.0
  O  O9  1  0.076  0.670  0.321  1.0
  O  O10  1  0.070  0.181  0.406  1.0
  O  O11  1  0.662  0.451  0.793  1.0
[/CIF]
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The structure described by MgBi(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), 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 distorted 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 42-57°. 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 49-62°. 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 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 42-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one W(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one W(1), and one Bi(1) atom. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one W(2) and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBi(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   6.062
_cell_length_c   7.135
_cell_angle_alpha   124.804
_cell_angle_beta   113.887
_cell_angle_gamma   89.798
_symmetry_Int_Tables_number   1
_cell_volume   162.821
_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  0.640  0.611  0.142  1.0
  Bi  Bi1  1  0.122  0.224  0.103  1.0
  W  W2  1  0.877  0.396  0.612  1.0
  W  W3  1  0.374  0.046  0.581  1.0
  O  O4  1  0.132  0.744  0.845  1.0
  O  O5  1  0.634  0.439  0.365  1.0
  O  O6  1  0.193  0.294  0.837  1.0
  O  O7  1  0.584  0.973  0.383  1.0
  O  O8  1  0.620  0.042  0.849  1.0
  O  O9  1  0.076  0.670  0.321  1.0
  O  O10  1  0.070  0.181  0.406  1.0
  O  O11  1  0.662  0.451  0.793  1.0
[/CIF]
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