The material described by Bi3(PO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(5), and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted BiO7 pentagonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(9), and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Bi(2)O7 pentagonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(2)O7 pentagonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Bi(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.963
_cell_length_b   7.130
_cell_length_c   9.338
_cell_angle_alpha   111.905
_cell_angle_beta   106.767
_cell_angle_gamma   91.120
_symmetry_Int_Tables_number   1
_cell_volume   407.567
_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  0.227  0.599  0.477  1.0
  Bi  Bi1  1  0.773  0.401  0.523  1.0
  Bi  Bi2  1  0.271  0.230  0.699  1.0
  Bi  Bi3  1  0.729  0.770  0.301  1.0
  Bi  Bi4  1  0.193  0.826  0.903  1.0
  Bi  Bi5  1  0.807  0.174  0.097  1.0
  P  P6  1  0.227  0.975  0.299  1.0
  P  P7  1  0.773  0.025  0.701  1.0
  P  P8  1  0.686  0.631  0.903  1.0
  P  P9  1  0.314  0.369  0.097  1.0
  O  O10  1  0.104  0.481  0.638  1.0
  O  O11  1  0.896  0.519  0.362  1.0
  O  O12  1  0.210  0.876  0.683  1.0
  O  O13  1  0.790  0.124  0.317  1.0
  O  O14  1  0.067  0.983  0.145  1.0
  O  O15  1  0.933  0.017  0.855  1.0
  O  O16  1  0.302  0.190  0.440  1.0
  O  O17  1  0.698  0.810  0.560  1.0
  O  O18  1  0.122  0.842  0.363  1.0
  O  O19  1  0.878  0.158  0.637  1.0
  O  O20  1  0.400  0.880  0.239  1.0
  O  O21  1  0.600  0.120  0.761  1.0
  O  O22  1  0.503  0.496  0.752  1.0
  O  O23  1  0.497  0.504  0.248  1.0
  O  O24  1  0.729  0.554  0.044  1.0
  O  O25  1  0.271  0.446  0.956  1.0
  O  O26  1  0.622  0.846  0.968  1.0
  O  O27  1  0.378  0.154  0.032  1.0
  O  O28  1  0.868  0.620  0.838  1.0
  O  O29  1  0.132  0.380  0.162  1.0
[/CIF]
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The material described by Bi3(PO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(5), and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted BiO7 pentagonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(9), and two equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Bi(2)O7 pentagonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(2)O7 pentagonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Bi(1), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Bi(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Bi(3) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.963
_cell_length_b   7.130
_cell_length_c   9.338
_cell_angle_alpha   111.905
_cell_angle_beta   106.767
_cell_angle_gamma   91.120
_symmetry_Int_Tables_number   1
_cell_volume   407.567
_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  0.227  0.599  0.477  1.0
  Bi  Bi1  1  0.773  0.401  0.523  1.0
  Bi  Bi2  1  0.271  0.230  0.699  1.0
  Bi  Bi3  1  0.729  0.770  0.301  1.0
  Bi  Bi4  1  0.193  0.826  0.903  1.0
  Bi  Bi5  1  0.807  0.174  0.097  1.0
  P  P6  1  0.227  0.975  0.299  1.0
  P  P7  1  0.773  0.025  0.701  1.0
  P  P8  1  0.686  0.631  0.903  1.0
  P  P9  1  0.314  0.369  0.097  1.0
  O  O10  1  0.104  0.481  0.638  1.0
  O  O11  1  0.896  0.519  0.362  1.0
  O  O12  1  0.210  0.876  0.683  1.0
  O  O13  1  0.790  0.124  0.317  1.0
  O  O14  1  0.067  0.983  0.145  1.0
  O  O15  1  0.933  0.017  0.855  1.0
  O  O16  1  0.302  0.190  0.440  1.0
  O  O17  1  0.698  0.810  0.560  1.0
  O  O18  1  0.122  0.842  0.363  1.0
  O  O19  1  0.878  0.158  0.637  1.0
  O  O20  1  0.400  0.880  0.239  1.0
  O  O21  1  0.600  0.120  0.761  1.0
  O  O22  1  0.503  0.496  0.752  1.0
  O  O23  1  0.497  0.504  0.248  1.0
  O  O24  1  0.729  0.554  0.044  1.0
  O  O25  1  0.271  0.446  0.956  1.0
  O  O26  1  0.622  0.846  0.968  1.0
  O  O27  1  0.378  0.154  0.032  1.0
  O  O28  1  0.868  0.620  0.838  1.0
  O  O29  1  0.132  0.380  0.162  1.0
[/CIF]
.