The material structure described by Bi4O5F2 crystallizes in the monoclinic P2_1 space group. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(1) atom. In the third Bi site, Bi(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one F(3) atom. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the fifth Bi site, Bi(5) is bonded in a distorted pentagonal planar geometry to one O(10), one O(6), one O(7), one O(9), and one F(3) atom. In the sixth Bi site, Bi(6) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(5), one O(8), and one F(2) atom. In the seventh Bi site, Bi(7) is bonded in a 6-coordinate geometry to one O(10), one O(6), one O(7), one O(8), one O(9), and one F(4) atom. In the eighth Bi site, Bi(8) is bonded in a distorted pentagonal planar geometry to two equivalent O(10), two equivalent O(9), and one F(2) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(3) atom. In the second O site, O(2) is bonded to one Bi(2), one Bi(4), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to one Bi(2), one Bi(4), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Bi(3) and one Bi(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Bi(3) and one Bi(6) atom. In the sixth O site, O(6) is bonded to one Bi(2), one Bi(4), one Bi(5), and one Bi(7) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to one Bi(2), one Bi(4), one Bi(5), and one Bi(7) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(4), one Bi(6), and one Bi(7) atom. In the ninth O site, O(9) is bonded to one Bi(5), one Bi(7), and two equivalent Bi(8) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the tenth O site, O(10) is bonded to one Bi(5), one Bi(7), and two equivalent Bi(8) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one Bi(1) and one Bi(2) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Bi(6) and one Bi(8) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Bi(3) and one Bi(5) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Bi(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi4O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   10.668
_cell_length_c   14.229
_cell_angle_alpha   82.547
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   846.089
_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  0.682  0.611  0.036  1.0
  Bi  Bi1  1  0.699  0.258  0.117  1.0
  Bi  Bi2  1  0.285  0.810  0.167  1.0
  Bi  Bi3  1  0.185  0.434  0.226  1.0
  Bi  Bi4  1  0.236  0.086  0.292  1.0
  Bi  Bi5  1  0.787  0.670  0.314  1.0
  Bi  Bi6  1  0.716  0.279  0.384  1.0
  Bi  Bi7  1  0.750  0.917  0.449  1.0
  Bi  Bi8  1  0.250  0.083  0.551  1.0
  Bi  Bi9  1  0.216  0.721  0.616  1.0
  Bi  Bi10  1  0.287  0.330  0.686  1.0
  Bi  Bi11  1  0.736  0.914  0.708  1.0
  Bi  Bi12  1  0.685  0.566  0.774  1.0
  Bi  Bi13  1  0.785  0.190  0.833  1.0
  Bi  Bi14  1  0.199  0.742  0.883  1.0
  Bi  Bi15  1  0.182  0.389  0.964  1.0
  O  O16  1  0.343  0.737  0.035  1.0
  O  O17  1  0.975  0.423  0.096  1.0
  O  O18  1  0.478  0.431  0.086  1.0
  O  O19  1  0.998  0.681  0.190  1.0
  O  O20  1  0.499  0.654  0.220  1.0
  O  O21  1  0.984  0.249  0.262  1.0
  O  O22  1  0.478  0.261  0.265  1.0
  O  O23  1  0.845  0.471  0.317  1.0
  O  O24  1  0.003  0.077  0.420  1.0
  O  O25  1  0.493  0.076  0.417  1.0
  O  O26  1  0.993  0.924  0.583  1.0
  O  O27  1  0.503  0.923  0.580  1.0
  O  O28  1  0.345  0.529  0.683  1.0
  O  O29  1  0.978  0.739  0.735  1.0
  O  O30  1  0.484  0.751  0.738  1.0
  O  O31  1  0.999  0.346  0.780  1.0
  O  O32  1  0.498  0.319  0.810  1.0
  O  O33  1  0.978  0.569  0.914  1.0
  O  O34  1  0.475  0.577  0.904  1.0
  O  O35  1  0.843  0.263  0.965  1.0
  F  F36  1  0.325  0.178  0.080  1.0
  F  F37  1  0.760  0.923  0.274  1.0
  F  F38  1  0.243  0.837  0.347  1.0
  F  F39  1  0.349  0.334  0.444  1.0
  F  F40  1  0.849  0.666  0.556  1.0
  F  F41  1  0.743  0.163  0.653  1.0
  F  F42  1  0.260  0.077  0.726  1.0
  F  F43  1  0.825  0.822  0.920  1.0
[/CIF]
.
The material structure described by Bi4O5F2 crystallizes in the monoclinic P2_1 space group. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(1) atom. In the third Bi site, Bi(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one F(3) atom. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and one O(8) atom. In the fifth Bi site, Bi(5) is bonded in a distorted pentagonal planar geometry to one O(10), one O(6), one O(7), one O(9), and one F(3) atom. In the sixth Bi site, Bi(6) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(5), one O(8), and one F(2) atom. In the seventh Bi site, Bi(7) is bonded in a 6-coordinate geometry to one O(10), one O(6), one O(7), one O(8), one O(9), and one F(4) atom. In the eighth Bi site, Bi(8) is bonded in a distorted pentagonal planar geometry to two equivalent O(10), two equivalent O(9), and one F(2) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(3) atom. In the second O site, O(2) is bonded to one Bi(2), one Bi(4), and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to one Bi(2), one Bi(4), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Bi(3) and one Bi(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Bi(3) and one Bi(6) atom. In the sixth O site, O(6) is bonded to one Bi(2), one Bi(4), one Bi(5), and one Bi(7) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to one Bi(2), one Bi(4), one Bi(5), and one Bi(7) atom to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Bi(4), one Bi(6), and one Bi(7) atom. In the ninth O site, O(9) is bonded to one Bi(5), one Bi(7), and two equivalent Bi(8) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the tenth O site, O(10) is bonded to one Bi(5), one Bi(7), and two equivalent Bi(8) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted L-shaped geometry to one Bi(1) and one Bi(2) atom. In the second F site, F(2) is bonded in an L-shaped geometry to one Bi(6) and one Bi(8) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Bi(3) and one Bi(5) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Bi(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi4O5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   10.668
_cell_length_c   14.229
_cell_angle_alpha   82.547
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   846.089
_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  0.682  0.611  0.036  1.0
  Bi  Bi1  1  0.699  0.258  0.117  1.0
  Bi  Bi2  1  0.285  0.810  0.167  1.0
  Bi  Bi3  1  0.185  0.434  0.226  1.0
  Bi  Bi4  1  0.236  0.086  0.292  1.0
  Bi  Bi5  1  0.787  0.670  0.314  1.0
  Bi  Bi6  1  0.716  0.279  0.384  1.0
  Bi  Bi7  1  0.750  0.917  0.449  1.0
  Bi  Bi8  1  0.250  0.083  0.551  1.0
  Bi  Bi9  1  0.216  0.721  0.616  1.0
  Bi  Bi10  1  0.287  0.330  0.686  1.0
  Bi  Bi11  1  0.736  0.914  0.708  1.0
  Bi  Bi12  1  0.685  0.566  0.774  1.0
  Bi  Bi13  1  0.785  0.190  0.833  1.0
  Bi  Bi14  1  0.199  0.742  0.883  1.0
  Bi  Bi15  1  0.182  0.389  0.964  1.0
  O  O16  1  0.343  0.737  0.035  1.0
  O  O17  1  0.975  0.423  0.096  1.0
  O  O18  1  0.478  0.431  0.086  1.0
  O  O19  1  0.998  0.681  0.190  1.0
  O  O20  1  0.499  0.654  0.220  1.0
  O  O21  1  0.984  0.249  0.262  1.0
  O  O22  1  0.478  0.261  0.265  1.0
  O  O23  1  0.845  0.471  0.317  1.0
  O  O24  1  0.003  0.077  0.420  1.0
  O  O25  1  0.493  0.076  0.417  1.0
  O  O26  1  0.993  0.924  0.583  1.0
  O  O27  1  0.503  0.923  0.580  1.0
  O  O28  1  0.345  0.529  0.683  1.0
  O  O29  1  0.978  0.739  0.735  1.0
  O  O30  1  0.484  0.751  0.738  1.0
  O  O31  1  0.999  0.346  0.780  1.0
  O  O32  1  0.498  0.319  0.810  1.0
  O  O33  1  0.978  0.569  0.914  1.0
  O  O34  1  0.475  0.577  0.904  1.0
  O  O35  1  0.843  0.263  0.965  1.0
  F  F36  1  0.325  0.178  0.080  1.0
  F  F37  1  0.760  0.923  0.274  1.0
  F  F38  1  0.243  0.837  0.347  1.0
  F  F39  1  0.349  0.334  0.444  1.0
  F  F40  1  0.849  0.666  0.556  1.0
  F  F41  1  0.743  0.163  0.653  1.0
  F  F42  1  0.260  0.077  0.726  1.0
  F  F43  1  0.825  0.822  0.920  1.0
[/CIF]
.