The crystal structure described by MgBi4(MoO6)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted pentagonal planar geometry to one O(1) and four equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a distorted pentagonal planar geometry to one O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(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 Mo(2), and one Bi(2) atom. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_MgBi4(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.708
_cell_length_c   9.147
_cell_angle_alpha   108.182
_cell_angle_beta   89.840
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.600
_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  0.000  0.500  0.000  1.0
  Bi  Bi1  1  0.539  0.172  0.344  1.0
  Bi  Bi2  1  0.461  0.828  0.656  1.0
  Bi  Bi3  1  0.020  0.318  0.636  1.0
  Bi  Bi4  1  0.980  0.682  0.364  1.0
  Mo  Mo5  1  0.000  0.000  0.000  1.0
  Mo  Mo6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.122  0.898  0.795  1.0
  O  O8  1  0.639  0.599  0.199  1.0
  O  O9  1  0.251  0.506  0.506  1.0
  O  O10  1  0.235  0.296  0.068  1.0
  O  O11  1  0.749  0.494  0.494  1.0
  O  O12  1  0.765  0.228  0.932  1.0
  O  O13  1  0.361  0.401  0.801  1.0
  O  O14  1  0.765  0.704  0.932  1.0
  O  O15  1  0.235  0.772  0.068  1.0
  O  O16  1  0.878  0.102  0.205  1.0
  O  O17  1  0.749  1.000  0.494  1.0
  O  O18  1  0.251  0.000  0.506  1.0
[/CIF]
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The crystal structure described by MgBi4(MoO6)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. In the second Mo site, Mo(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted pentagonal planar geometry to one O(1) and four equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a distorted pentagonal planar geometry to one O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(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 Mo(2), and one Bi(2) atom. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_MgBi4(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.708
_cell_length_c   9.147
_cell_angle_alpha   108.182
_cell_angle_beta   89.840
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.600
_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  0.000  0.500  0.000  1.0
  Bi  Bi1  1  0.539  0.172  0.344  1.0
  Bi  Bi2  1  0.461  0.828  0.656  1.0
  Bi  Bi3  1  0.020  0.318  0.636  1.0
  Bi  Bi4  1  0.980  0.682  0.364  1.0
  Mo  Mo5  1  0.000  0.000  0.000  1.0
  Mo  Mo6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.122  0.898  0.795  1.0
  O  O8  1  0.639  0.599  0.199  1.0
  O  O9  1  0.251  0.506  0.506  1.0
  O  O10  1  0.235  0.296  0.068  1.0
  O  O11  1  0.749  0.494  0.494  1.0
  O  O12  1  0.765  0.228  0.932  1.0
  O  O13  1  0.361  0.401  0.801  1.0
  O  O14  1  0.765  0.704  0.932  1.0
  O  O15  1  0.235  0.772  0.068  1.0
  O  O16  1  0.878  0.102  0.205  1.0
  O  O17  1  0.749  1.000  0.494  1.0
  O  O18  1  0.251  0.000  0.506  1.0
[/CIF]
.