The material described by MgBi4(WO6)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(6) and four equivalent O(4) atoms. W(1) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)Bi2W2 tetrahedra, corners with two equivalent O(1)Bi4 tetrahedra, corners with two equivalent O(2)Bi4 tetrahedra, edges with two equivalent O(1)Bi4 tetrahedra, and edges with two equivalent O(2)Bi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with two equivalent O(2)Bi4 tetrahedra, corners with four equivalent O(3)Bi2W2 tetrahedra,  an edgeedge with one O(3)Bi2W2 tetrahedra, edges with two equivalent O(1)Bi4 tetrahedra, and edges with two equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to two equivalent W(1) and two equivalent Bi(1) atoms to form distorted OBi2W2 tetrahedra that share corners with two equivalent O(3)Bi2W2 tetrahedra, corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(2)Bi4 tetrahedra,  an edgeedge with one O(3)Bi2W2 tetrahedra, and  an edgeedge with one O(2)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one W(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBi4(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.910
_cell_length_b   8.040
_cell_length_c   8.931
_cell_angle_alpha   102.106
_cell_angle_beta   102.416
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   267.778
_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  0.000  1.0
  Bi  Bi1  1  0.681  0.598  0.356  1.0
  Bi  Bi2  1  0.319  0.402  0.644  1.0
  Bi  Bi3  1  0.320  0.927  0.648  1.0
  Bi  Bi4  1  0.680  0.073  0.352  1.0
  W  W5  1  0.016  0.711  0.031  1.0
  W  W6  1  0.984  0.289  0.969  1.0
  O  O7  1  0.752  0.876  0.505  1.0
  O  O8  1  0.741  0.369  0.480  1.0
  O  O9  1  0.927  0.504  0.853  1.0
  O  O10  1  0.259  0.631  0.520  1.0
  O  O11  1  0.056  0.135  0.116  1.0
  O  O12  1  0.879  0.165  0.755  1.0
  O  O13  1  0.073  0.496  0.147  1.0
  O  O14  1  0.121  0.835  0.245  1.0
  O  O15  1  0.248  0.124  0.495  1.0
  O  O16  1  0.944  0.865  0.884  1.0
  O  O17  1  0.518  0.752  0.035  1.0
  O  O18  1  0.482  0.248  0.965  1.0
[/CIF]
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The material described by MgBi4(WO6)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(6) and four equivalent O(4) atoms. W(1) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)Bi2W2 tetrahedra, corners with two equivalent O(1)Bi4 tetrahedra, corners with two equivalent O(2)Bi4 tetrahedra, edges with two equivalent O(1)Bi4 tetrahedra, and edges with two equivalent O(2)Bi4 tetrahedra. In the second O site, O(2) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form OBi4 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with two equivalent O(2)Bi4 tetrahedra, corners with four equivalent O(3)Bi2W2 tetrahedra,  an edgeedge with one O(3)Bi2W2 tetrahedra, edges with two equivalent O(1)Bi4 tetrahedra, and edges with two equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to two equivalent W(1) and two equivalent Bi(1) atoms to form distorted OBi2W2 tetrahedra that share corners with two equivalent O(3)Bi2W2 tetrahedra, corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(2)Bi4 tetrahedra,  an edgeedge with one O(3)Bi2W2 tetrahedra, and  an edgeedge with one O(2)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one W(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgBi4(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.910
_cell_length_b   8.040
_cell_length_c   8.931
_cell_angle_alpha   102.106
_cell_angle_beta   102.416
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   267.778
_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  0.000  1.0
  Bi  Bi1  1  0.681  0.598  0.356  1.0
  Bi  Bi2  1  0.319  0.402  0.644  1.0
  Bi  Bi3  1  0.320  0.927  0.648  1.0
  Bi  Bi4  1  0.680  0.073  0.352  1.0
  W  W5  1  0.016  0.711  0.031  1.0
  W  W6  1  0.984  0.289  0.969  1.0
  O  O7  1  0.752  0.876  0.505  1.0
  O  O8  1  0.741  0.369  0.480  1.0
  O  O9  1  0.927  0.504  0.853  1.0
  O  O10  1  0.259  0.631  0.520  1.0
  O  O11  1  0.056  0.135  0.116  1.0
  O  O12  1  0.879  0.165  0.755  1.0
  O  O13  1  0.073  0.496  0.147  1.0
  O  O14  1  0.121  0.835  0.245  1.0
  O  O15  1  0.248  0.124  0.495  1.0
  O  O16  1  0.944  0.865  0.884  1.0
  O  O17  1  0.518  0.752  0.035  1.0
  O  O18  1  0.482  0.248  0.965  1.0
[/CIF]
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