The material structure described by Bi16O25 crystallizes in the tetragonal I-42m space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(2) and two equivalent Bi(3) 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(1), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded to four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_Bi16O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.672
_cell_length_b   9.672
_cell_length_c   9.672
_cell_angle_alpha   109.731
_cell_angle_beta   109.731
_cell_angle_gamma   108.954
_symmetry_Int_Tables_number   1
_cell_volume   696.409
_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
  Bi  Bi0  1  0.495  0.495  0.748  1.0
  Bi  Bi1  1  0.983  0.983  0.739  1.0
  Bi  Bi2  1  0.763  0.263  0.760  1.0
  Bi  Bi3  1  0.263  0.763  0.760  1.0
  Bi  Bi4  1  0.756  0.017  0.000  1.0
  Bi  Bi5  1  0.017  0.756  0.000  1.0
  Bi  Bi6  1  0.505  0.253  0.000  1.0
  Bi  Bi7  1  0.253  0.505  0.000  1.0
  Bi  Bi8  1  0.003  0.503  0.240  1.0
  Bi  Bi9  1  0.503  0.003  0.240  1.0
  Bi  Bi10  1  0.747  0.747  0.252  1.0
  Bi  Bi11  1  0.244  0.244  0.261  1.0
  Bi  Bi12  1  0.237  0.997  0.500  1.0
  Bi  Bi13  1  0.737  0.497  0.500  1.0
  Bi  Bi14  1  0.997  0.237  0.500  1.0
  Bi  Bi15  1  0.497  0.737  0.500  1.0
  O  O16  1  0.202  0.500  0.702  1.0
  O  O17  1  0.500  0.202  0.702  1.0
  O  O18  1  0.708  0.000  0.708  1.0
  O  O19  1  0.000  0.708  0.708  1.0
  O  O20  1  0.754  0.548  0.800  1.0
  O  O21  1  0.046  0.246  0.794  1.0
  O  O22  1  0.548  0.754  0.800  1.0
  O  O23  1  0.246  0.046  0.794  1.0
  O  O24  1  0.534  0.045  0.000  1.0
  O  O25  1  0.045  0.534  0.000  1.0
  O  O26  1  0.296  0.791  0.000  1.0
  O  O27  1  0.791  0.296  0.000  1.0
  O  O28  1  0.000  0.000  0.000  1.0
  O  O29  1  0.452  0.252  0.206  1.0
  O  O30  1  0.954  0.748  0.200  1.0
  O  O31  1  0.252  0.452  0.206  1.0
  O  O32  1  0.748  0.954  0.200  1.0
  O  O33  1  0.500  0.798  0.298  1.0
  O  O34  1  0.292  0.000  0.292  1.0
  O  O35  1  0.000  0.292  0.292  1.0
  O  O36  1  0.798  0.500  0.298  1.0
  O  O37  1  0.209  0.209  0.505  1.0
  O  O38  1  0.704  0.704  0.495  1.0
  O  O39  1  0.466  0.466  0.511  1.0
  O  O40  1  0.955  0.955  0.489  1.0
[/CIF]
.
The material structure described by Bi16O25 crystallizes in the tetragonal I-42m space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing BiO7 pentagonal bipyramids. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Bi(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(2) and two equivalent Bi(3) 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(1), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded to one Bi(1), one Bi(2), and two equivalent Bi(3) atoms to form a mixture of distorted edge and corner-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded to four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF file [CIF]
data_Bi16O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.672
_cell_length_b   9.672
_cell_length_c   9.672
_cell_angle_alpha   109.731
_cell_angle_beta   109.731
_cell_angle_gamma   108.954
_symmetry_Int_Tables_number   1
_cell_volume   696.409
_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
  Bi  Bi0  1  0.495  0.495  0.748  1.0
  Bi  Bi1  1  0.983  0.983  0.739  1.0
  Bi  Bi2  1  0.763  0.263  0.760  1.0
  Bi  Bi3  1  0.263  0.763  0.760  1.0
  Bi  Bi4  1  0.756  0.017  0.000  1.0
  Bi  Bi5  1  0.017  0.756  0.000  1.0
  Bi  Bi6  1  0.505  0.253  0.000  1.0
  Bi  Bi7  1  0.253  0.505  0.000  1.0
  Bi  Bi8  1  0.003  0.503  0.240  1.0
  Bi  Bi9  1  0.503  0.003  0.240  1.0
  Bi  Bi10  1  0.747  0.747  0.252  1.0
  Bi  Bi11  1  0.244  0.244  0.261  1.0
  Bi  Bi12  1  0.237  0.997  0.500  1.0
  Bi  Bi13  1  0.737  0.497  0.500  1.0
  Bi  Bi14  1  0.997  0.237  0.500  1.0
  Bi  Bi15  1  0.497  0.737  0.500  1.0
  O  O16  1  0.202  0.500  0.702  1.0
  O  O17  1  0.500  0.202  0.702  1.0
  O  O18  1  0.708  0.000  0.708  1.0
  O  O19  1  0.000  0.708  0.708  1.0
  O  O20  1  0.754  0.548  0.800  1.0
  O  O21  1  0.046  0.246  0.794  1.0
  O  O22  1  0.548  0.754  0.800  1.0
  O  O23  1  0.246  0.046  0.794  1.0
  O  O24  1  0.534  0.045  0.000  1.0
  O  O25  1  0.045  0.534  0.000  1.0
  O  O26  1  0.296  0.791  0.000  1.0
  O  O27  1  0.791  0.296  0.000  1.0
  O  O28  1  0.000  0.000  0.000  1.0
  O  O29  1  0.452  0.252  0.206  1.0
  O  O30  1  0.954  0.748  0.200  1.0
  O  O31  1  0.252  0.452  0.206  1.0
  O  O32  1  0.748  0.954  0.200  1.0
  O  O33  1  0.500  0.798  0.298  1.0
  O  O34  1  0.292  0.000  0.292  1.0
  O  O35  1  0.000  0.292  0.292  1.0
  O  O36  1  0.798  0.500  0.298  1.0
  O  O37  1  0.209  0.209  0.505  1.0
  O  O38  1  0.704  0.704  0.495  1.0
  O  O39  1  0.466  0.466  0.511  1.0
  O  O40  1  0.955  0.955  0.489  1.0
[/CIF]
.