The material described by Bi4(BO4)3 crystallizes in the monoclinic Pc space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(11), one O(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(12), one O(9), two equivalent O(10), and two equivalent O(11) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and two equivalent Bi(4) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(4) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(3) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one B(1) and one Bi(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one B(2), one Bi(1), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one B(3) and two equivalent Bi(4) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(1) atoms. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one B(1) and one Bi(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one B(3) and two equivalent Bi(2) atoms. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(2) atoms. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one B(3) and one Bi(2) atom. is represented by the CIF card [CIF]
data_Bi4(BO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.732
_cell_length_c   16.180
_cell_angle_alpha   84.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.142
_cell_formula_units_Z   2
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  0.766  0.234  0.413  1.0
  Bi  Bi1  1  0.291  0.154  0.857  1.0
  Bi  Bi2  1  0.742  0.421  0.142  1.0
  Bi  Bi3  1  0.261  0.229  0.573  1.0
  Bi  Bi4  1  0.234  0.734  0.413  1.0
  Bi  Bi5  1  0.709  0.654  0.857  1.0
  Bi  Bi6  1  0.258  0.921  0.142  1.0
  Bi  Bi7  1  0.739  0.729  0.573  1.0
  B  B8  1  0.750  0.018  0.005  1.0
  B  B9  1  0.263  0.304  0.271  1.0
  B  B10  1  0.250  0.518  0.005  1.0
  B  B11  1  0.808  0.069  0.721  1.0
  B  B12  1  0.737  0.804  0.271  1.0
  B  B13  1  0.192  0.569  0.721  1.0
  O  O14  1  0.644  0.077  0.081  1.0
  O  O15  1  0.005  0.984  0.495  1.0
  O  O16  1  0.499  0.983  0.492  1.0
  O  O17  1  0.096  0.232  0.211  1.0
  O  O18  1  0.067  0.312  0.033  1.0
  O  O19  1  0.522  0.307  0.255  1.0
  O  O20  1  0.739  0.118  0.640  1.0
  O  O21  1  0.180  0.351  0.347  1.0
  O  O22  1  0.356  0.577  0.081  1.0
  O  O23  1  0.922  0.222  0.965  1.0
  O  O24  1  0.995  0.484  0.495  1.0
  O  O25  1  0.501  0.483  0.492  1.0
  O  O26  1  0.379  0.494  0.781  1.0
  O  O27  1  0.406  0.447  0.941  1.0
  O  O28  1  0.904  0.732  0.211  1.0
  O  O29  1  0.933  0.812  0.033  1.0
  O  O30  1  0.478  0.807  0.255  1.0
  O  O31  1  0.941  0.572  0.743  1.0
  O  O32  1  0.261  0.618  0.640  1.0
  O  O33  1  0.820  0.851  0.347  1.0
  O  O34  1  0.078  0.722  0.965  1.0
  O  O35  1  0.621  0.994  0.781  1.0
  O  O36  1  0.594  0.947  0.941  1.0
  O  O37  1  0.059  0.072  0.743  1.0
[/CIF]
.
The material described by Bi4(BO4)3 crystallizes in the monoclinic Pc space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(11), one O(5), and one O(9) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(12), one O(9), two equivalent O(10), and two equivalent O(11) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to two equivalent Bi(1) and two equivalent Bi(4) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded to two equivalent Bi(1) and two equivalent Bi(4) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(3) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one B(1) and one Bi(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one B(2), one Bi(1), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one B(3) and two equivalent Bi(4) atoms. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one B(2) and two equivalent Bi(1) atoms. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one B(1) and one Bi(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one B(3) and two equivalent Bi(2) atoms. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(2) atoms. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one B(3) and one Bi(2) atom. is represented by the CIF card [CIF]
data_Bi4(BO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.732
_cell_length_c   16.180
_cell_angle_alpha   84.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.142
_cell_formula_units_Z   2
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  0.766  0.234  0.413  1.0
  Bi  Bi1  1  0.291  0.154  0.857  1.0
  Bi  Bi2  1  0.742  0.421  0.142  1.0
  Bi  Bi3  1  0.261  0.229  0.573  1.0
  Bi  Bi4  1  0.234  0.734  0.413  1.0
  Bi  Bi5  1  0.709  0.654  0.857  1.0
  Bi  Bi6  1  0.258  0.921  0.142  1.0
  Bi  Bi7  1  0.739  0.729  0.573  1.0
  B  B8  1  0.750  0.018  0.005  1.0
  B  B9  1  0.263  0.304  0.271  1.0
  B  B10  1  0.250  0.518  0.005  1.0
  B  B11  1  0.808  0.069  0.721  1.0
  B  B12  1  0.737  0.804  0.271  1.0
  B  B13  1  0.192  0.569  0.721  1.0
  O  O14  1  0.644  0.077  0.081  1.0
  O  O15  1  0.005  0.984  0.495  1.0
  O  O16  1  0.499  0.983  0.492  1.0
  O  O17  1  0.096  0.232  0.211  1.0
  O  O18  1  0.067  0.312  0.033  1.0
  O  O19  1  0.522  0.307  0.255  1.0
  O  O20  1  0.739  0.118  0.640  1.0
  O  O21  1  0.180  0.351  0.347  1.0
  O  O22  1  0.356  0.577  0.081  1.0
  O  O23  1  0.922  0.222  0.965  1.0
  O  O24  1  0.995  0.484  0.495  1.0
  O  O25  1  0.501  0.483  0.492  1.0
  O  O26  1  0.379  0.494  0.781  1.0
  O  O27  1  0.406  0.447  0.941  1.0
  O  O28  1  0.904  0.732  0.211  1.0
  O  O29  1  0.933  0.812  0.033  1.0
  O  O30  1  0.478  0.807  0.255  1.0
  O  O31  1  0.941  0.572  0.743  1.0
  O  O32  1  0.261  0.618  0.640  1.0
  O  O33  1  0.820  0.851  0.347  1.0
  O  O34  1  0.078  0.722  0.965  1.0
  O  O35  1  0.621  0.994  0.781  1.0
  O  O36  1  0.594  0.947  0.941  1.0
  O  O37  1  0.059  0.072  0.743  1.0
[/CIF]
.