The material structure described by Bi2MoO6 crystallizes in the orthorhombic Pbca space group. Mo(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Bi(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.403
_cell_length_b   5.424
_cell_length_c   16.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.724
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.994  0.978  0.673  1.0
  Bi  Bi1  1  0.994  0.478  0.827  1.0
  Bi  Bi2  1  0.006  0.022  0.327  1.0
  Bi  Bi3  1  0.006  0.522  0.173  1.0
  Bi  Bi4  1  0.506  0.978  0.173  1.0
  Bi  Bi5  1  0.494  0.022  0.827  1.0
  Bi  Bi6  1  0.494  0.522  0.673  1.0
  Bi  Bi7  1  0.506  0.478  0.327  1.0
  Mo  Mo8  1  0.000  0.500  0.500  1.0
  Mo  Mo9  1  0.000  0.000  0.000  1.0
  Mo  Mo10  1  0.500  0.500  0.000  1.0
  Mo  Mo11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.013  0.074  0.890  1.0
  O  O13  1  0.987  0.426  0.390  1.0
  O  O14  1  0.752  0.248  0.249  1.0
  O  O15  1  0.013  0.574  0.610  1.0
  O  O16  1  0.709  0.293  0.518  1.0
  O  O17  1  0.791  0.793  0.482  1.0
  O  O18  1  0.487  0.074  0.390  1.0
  O  O19  1  0.487  0.574  0.110  1.0
  O  O20  1  0.987  0.926  0.110  1.0
  O  O21  1  0.252  0.252  0.249  1.0
  O  O22  1  0.752  0.748  0.251  1.0
  O  O23  1  0.248  0.752  0.751  1.0
  O  O24  1  0.291  0.707  0.482  1.0
  O  O25  1  0.209  0.707  0.982  1.0
  O  O26  1  0.252  0.752  0.251  1.0
  O  O27  1  0.513  0.926  0.610  1.0
  O  O28  1  0.209  0.207  0.518  1.0
  O  O29  1  0.248  0.252  0.749  1.0
  O  O30  1  0.748  0.248  0.749  1.0
  O  O31  1  0.709  0.793  0.982  1.0
  O  O32  1  0.291  0.207  0.018  1.0
  O  O33  1  0.513  0.426  0.890  1.0
  O  O34  1  0.748  0.748  0.751  1.0
  O  O35  1  0.791  0.293  0.018  1.0
[/CIF]
.
The material structure described by Bi2MoO6 crystallizes in the orthorhombic Pbca space group. Mo(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Bi(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.403
_cell_length_b   5.424
_cell_length_c   16.949
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.724
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.994  0.978  0.673  1.0
  Bi  Bi1  1  0.994  0.478  0.827  1.0
  Bi  Bi2  1  0.006  0.022  0.327  1.0
  Bi  Bi3  1  0.006  0.522  0.173  1.0
  Bi  Bi4  1  0.506  0.978  0.173  1.0
  Bi  Bi5  1  0.494  0.022  0.827  1.0
  Bi  Bi6  1  0.494  0.522  0.673  1.0
  Bi  Bi7  1  0.506  0.478  0.327  1.0
  Mo  Mo8  1  0.000  0.500  0.500  1.0
  Mo  Mo9  1  0.000  0.000  0.000  1.0
  Mo  Mo10  1  0.500  0.500  0.000  1.0
  Mo  Mo11  1  0.500  0.000  0.500  1.0
  O  O12  1  0.013  0.074  0.890  1.0
  O  O13  1  0.987  0.426  0.390  1.0
  O  O14  1  0.752  0.248  0.249  1.0
  O  O15  1  0.013  0.574  0.610  1.0
  O  O16  1  0.709  0.293  0.518  1.0
  O  O17  1  0.791  0.793  0.482  1.0
  O  O18  1  0.487  0.074  0.390  1.0
  O  O19  1  0.487  0.574  0.110  1.0
  O  O20  1  0.987  0.926  0.110  1.0
  O  O21  1  0.252  0.252  0.249  1.0
  O  O22  1  0.752  0.748  0.251  1.0
  O  O23  1  0.248  0.752  0.751  1.0
  O  O24  1  0.291  0.707  0.482  1.0
  O  O25  1  0.209  0.707  0.982  1.0
  O  O26  1  0.252  0.752  0.251  1.0
  O  O27  1  0.513  0.926  0.610  1.0
  O  O28  1  0.209  0.207  0.518  1.0
  O  O29  1  0.248  0.252  0.749  1.0
  O  O30  1  0.748  0.248  0.749  1.0
  O  O31  1  0.709  0.793  0.982  1.0
  O  O32  1  0.291  0.207  0.018  1.0
  O  O33  1  0.513  0.426  0.890  1.0
  O  O34  1  0.748  0.748  0.751  1.0
  O  O35  1  0.791  0.293  0.018  1.0
[/CIF]
.