The material described by Ba3Bi2(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(8) atoms. Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Ba3Bi2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.320
_cell_length_b   11.320
_cell_length_c   8.859
_cell_angle_alpha   71.803
_cell_angle_beta   71.803
_cell_angle_gamma   46.157
_symmetry_Int_Tables_number   1
_cell_volume   770.126
_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
  Ba  Ba0  1  0.278  0.155  0.227  1.0
  Ba  Ba1  1  0.055  0.945  0.750  1.0
  Ba  Ba2  1  0.945  0.055  0.250  1.0
  Ba  Ba3  1  0.845  0.722  0.273  1.0
  Ba  Ba4  1  0.722  0.845  0.773  1.0
  Ba  Ba5  1  0.155  0.278  0.727  1.0
  Bi  Bi6  1  0.525  0.639  0.313  1.0
  Bi  Bi7  1  0.475  0.361  0.687  1.0
  Bi  Bi8  1  0.361  0.475  0.187  1.0
  Bi  Bi9  1  0.639  0.525  0.813  1.0
  P  P10  1  0.452  0.838  0.549  1.0
  P  P11  1  0.323  0.898  0.011  1.0
  P  P12  1  0.898  0.323  0.511  1.0
  P  P13  1  0.162  0.548  0.951  1.0
  P  P14  1  0.548  0.162  0.451  1.0
  P  P15  1  0.102  0.677  0.489  1.0
  P  P16  1  0.838  0.452  0.049  1.0
  P  P17  1  0.677  0.102  0.989  1.0
  O  O18  1  0.550  0.295  0.997  1.0
  O  O19  1  0.710  0.099  0.801  1.0
  O  O20  1  0.599  0.743  0.646  1.0
  O  O21  1  0.705  0.450  0.503  1.0
  O  O22  1  0.815  0.531  0.866  1.0
  O  O23  1  0.099  0.710  0.301  1.0
  O  O24  1  0.386  0.746  0.600  1.0
  O  O25  1  0.022  0.321  0.061  1.0
  O  O26  1  0.398  0.978  0.925  1.0
  O  O27  1  0.290  0.901  0.199  1.0
  O  O28  1  0.679  0.978  0.439  1.0
  O  O29  1  0.185  0.469  0.134  1.0
  O  O30  1  0.746  0.386  0.100  1.0
  O  O31  1  0.013  0.839  0.546  1.0
  O  O32  1  0.602  0.022  0.075  1.0
  O  O33  1  0.450  0.705  0.003  1.0
  O  O34  1  0.614  0.254  0.400  1.0
  O  O35  1  0.469  0.185  0.634  1.0
  O  O36  1  0.321  0.022  0.561  1.0
  O  O37  1  0.401  0.257  0.354  1.0
  O  O38  1  0.901  0.290  0.699  1.0
  O  O39  1  0.978  0.398  0.425  1.0
  O  O40  1  0.161  0.987  0.954  1.0
  O  O41  1  0.022  0.602  0.575  1.0
  O  O42  1  0.743  0.599  0.146  1.0
  O  O43  1  0.254  0.614  0.900  1.0
  O  O44  1  0.295  0.550  0.497  1.0
  O  O45  1  0.987  0.161  0.454  1.0
  O  O46  1  0.257  0.401  0.854  1.0
  O  O47  1  0.978  0.679  0.939  1.0
  O  O48  1  0.839  0.013  0.046  1.0
  O  O49  1  0.531  0.815  0.366  1.0
[/CIF]
.
The material described by Ba3Bi2(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(8) atoms. Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Ba3Bi2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.320
_cell_length_b   11.320
_cell_length_c   8.859
_cell_angle_alpha   71.803
_cell_angle_beta   71.803
_cell_angle_gamma   46.157
_symmetry_Int_Tables_number   1
_cell_volume   770.126
_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
  Ba  Ba0  1  0.278  0.155  0.227  1.0
  Ba  Ba1  1  0.055  0.945  0.750  1.0
  Ba  Ba2  1  0.945  0.055  0.250  1.0
  Ba  Ba3  1  0.845  0.722  0.273  1.0
  Ba  Ba4  1  0.722  0.845  0.773  1.0
  Ba  Ba5  1  0.155  0.278  0.727  1.0
  Bi  Bi6  1  0.525  0.639  0.313  1.0
  Bi  Bi7  1  0.475  0.361  0.687  1.0
  Bi  Bi8  1  0.361  0.475  0.187  1.0
  Bi  Bi9  1  0.639  0.525  0.813  1.0
  P  P10  1  0.452  0.838  0.549  1.0
  P  P11  1  0.323  0.898  0.011  1.0
  P  P12  1  0.898  0.323  0.511  1.0
  P  P13  1  0.162  0.548  0.951  1.0
  P  P14  1  0.548  0.162  0.451  1.0
  P  P15  1  0.102  0.677  0.489  1.0
  P  P16  1  0.838  0.452  0.049  1.0
  P  P17  1  0.677  0.102  0.989  1.0
  O  O18  1  0.550  0.295  0.997  1.0
  O  O19  1  0.710  0.099  0.801  1.0
  O  O20  1  0.599  0.743  0.646  1.0
  O  O21  1  0.705  0.450  0.503  1.0
  O  O22  1  0.815  0.531  0.866  1.0
  O  O23  1  0.099  0.710  0.301  1.0
  O  O24  1  0.386  0.746  0.600  1.0
  O  O25  1  0.022  0.321  0.061  1.0
  O  O26  1  0.398  0.978  0.925  1.0
  O  O27  1  0.290  0.901  0.199  1.0
  O  O28  1  0.679  0.978  0.439  1.0
  O  O29  1  0.185  0.469  0.134  1.0
  O  O30  1  0.746  0.386  0.100  1.0
  O  O31  1  0.013  0.839  0.546  1.0
  O  O32  1  0.602  0.022  0.075  1.0
  O  O33  1  0.450  0.705  0.003  1.0
  O  O34  1  0.614  0.254  0.400  1.0
  O  O35  1  0.469  0.185  0.634  1.0
  O  O36  1  0.321  0.022  0.561  1.0
  O  O37  1  0.401  0.257  0.354  1.0
  O  O38  1  0.901  0.290  0.699  1.0
  O  O39  1  0.978  0.398  0.425  1.0
  O  O40  1  0.161  0.987  0.954  1.0
  O  O41  1  0.022  0.602  0.575  1.0
  O  O42  1  0.743  0.599  0.146  1.0
  O  O43  1  0.254  0.614  0.900  1.0
  O  O44  1  0.295  0.550  0.497  1.0
  O  O45  1  0.987  0.161  0.454  1.0
  O  O46  1  0.257  0.401  0.854  1.0
  O  O47  1  0.978  0.679  0.939  1.0
  O  O48  1  0.839  0.013  0.046  1.0
  O  O49  1  0.531  0.815  0.366  1.0
[/CIF]
.