The crystal structure described by Bi5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(11), one O(17), one O(19), one O(2), one O(24), and one O(6) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(13), one O(15), one O(23), and one O(9) atom to form distorted BiO5 square pyramids that share  a cornercorner with one Bi(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(20), one O(5), one O(6), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded to one O(10), one O(12), one O(13), one O(22), one O(3), and one O(4) atom to form distorted BiO6 octahedra that share  a cornercorner with one Bi(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(17), one O(18), one O(2), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(22), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 63°. In the second P site, P(2) is bonded to one O(12), one O(15), one O(19), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 56°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the fourth P site, P(4) is bonded to one O(17), one O(20), one O(23), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the fifth P site, P(5) is bonded to one O(1), one O(18), one O(24), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 31°. In the sixth P site, P(6) is bonded to one O(13), one O(16), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 64°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Bi(2) and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(5), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Bi(4) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Bi(4) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(5), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Bi(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Bi(4) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(4), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Bi(5) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Bi(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Bi(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(5), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Bi(3), one Bi(5), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Bi(1) and one P(2) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Bi(3) and one P(4) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Bi(4) and one P(1) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Bi(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(5) atom. is represented by the CIF card [CIF]
data_Bi5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.936
_cell_length_b   8.943
_cell_length_c   8.964
_cell_angle_alpha   108.738
_cell_angle_beta   110.178
_cell_angle_gamma   108.803
_symmetry_Int_Tables_number   1
_cell_volume   556.051
_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  0.497  0.520  0.158  1.0
  Bi  Bi1  1  0.828  0.302  0.830  1.0
  Bi  Bi2  1  0.029  0.672  0.500  1.0
  Bi  Bi3  1  0.476  0.493  0.654  1.0
  Bi  Bi4  1  0.165  0.999  0.004  1.0
  P  P5  1  0.135  0.391  0.253  1.0
  P  P6  1  0.749  0.854  0.624  1.0
  P  P7  1  0.871  0.746  0.120  1.0
  P  P8  1  0.377  0.130  0.758  1.0
  P  P9  1  0.240  0.619  0.882  1.0
  P  P10  1  0.623  0.259  0.379  1.0
  O  O11  1  0.063  0.434  0.759  1.0
  O  O12  1  0.277  0.367  0.193  1.0
  O  O13  1  0.351  0.271  0.705  1.0
  O  O14  1  0.383  0.630  0.820  1.0
  O  O15  1  0.161  0.584  0.324  1.0
  O  O16  1  0.661  0.426  0.349  1.0
  O  O17  1  0.847  0.913  0.151  1.0
  O  O18  1  0.927  0.836  0.666  1.0
  O  O19  1  0.945  0.255  0.080  1.0
  O  O20  1  0.728  0.576  0.931  1.0
  O  O21  1  0.854  0.680  0.258  1.0
  O  O22  1  0.673  0.800  0.739  1.0
  O  O23  1  0.652  0.325  0.577  1.0
  O  O24  1  0.066  0.820  0.145  1.0
  O  O25  1  0.811  0.054  0.671  1.0
  O  O26  1  0.428  0.099  0.247  1.0
  O  O27  1  0.346  0.162  0.926  1.0
  O  O28  1  0.190  0.767  0.857  1.0
  O  O29  1  0.603  0.737  0.421  1.0
  O  O30  1  0.239  0.937  0.597  1.0
  O  O31  1  0.754  0.187  0.355  1.0
  O  O32  1  0.166  0.341  0.407  1.0
  O  O33  1  0.571  0.156  0.820  1.0
  O  O34  1  0.325  0.658  0.080  1.0
[/CIF]
.
The crystal structure described by Bi5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(11), one O(17), one O(19), one O(2), one O(24), and one O(6) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(13), one O(15), one O(23), and one O(9) atom to form distorted BiO5 square pyramids that share  a cornercorner with one Bi(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(20), one O(5), one O(6), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded to one O(10), one O(12), one O(13), one O(22), one O(3), and one O(4) atom to form distorted BiO6 octahedra that share  a cornercorner with one Bi(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to one O(14), one O(16), one O(17), one O(18), one O(2), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(22), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 63°. In the second P site, P(2) is bonded to one O(12), one O(15), one O(19), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 56°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the fourth P site, P(4) is bonded to one O(17), one O(20), one O(23), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the fifth P site, P(5) is bonded to one O(1), one O(18), one O(24), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 31°. In the sixth P site, P(6) is bonded to one O(13), one O(16), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(4)O6 octahedra and  a cornercorner with one Bi(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 64°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Bi(2) and one P(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(5), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Bi(4) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Bi(4) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Bi(3) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(3), and one P(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Bi(3), one Bi(5), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Bi(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Bi(4) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Bi(2), one Bi(4), and one P(6) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Bi(5) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Bi(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Bi(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(5), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Bi(3), one Bi(5), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Bi(1) and one P(2) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Bi(3) and one P(4) atom. In the twenty-first O site, O(21) is bonded in a single-bond geometry to one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Bi(4) and one P(1) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Bi(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(5) atom. is represented by the CIF card [CIF]
data_Bi5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.936
_cell_length_b   8.943
_cell_length_c   8.964
_cell_angle_alpha   108.738
_cell_angle_beta   110.178
_cell_angle_gamma   108.803
_symmetry_Int_Tables_number   1
_cell_volume   556.051
_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  0.497  0.520  0.158  1.0
  Bi  Bi1  1  0.828  0.302  0.830  1.0
  Bi  Bi2  1  0.029  0.672  0.500  1.0
  Bi  Bi3  1  0.476  0.493  0.654  1.0
  Bi  Bi4  1  0.165  0.999  0.004  1.0
  P  P5  1  0.135  0.391  0.253  1.0
  P  P6  1  0.749  0.854  0.624  1.0
  P  P7  1  0.871  0.746  0.120  1.0
  P  P8  1  0.377  0.130  0.758  1.0
  P  P9  1  0.240  0.619  0.882  1.0
  P  P10  1  0.623  0.259  0.379  1.0
  O  O11  1  0.063  0.434  0.759  1.0
  O  O12  1  0.277  0.367  0.193  1.0
  O  O13  1  0.351  0.271  0.705  1.0
  O  O14  1  0.383  0.630  0.820  1.0
  O  O15  1  0.161  0.584  0.324  1.0
  O  O16  1  0.661  0.426  0.349  1.0
  O  O17  1  0.847  0.913  0.151  1.0
  O  O18  1  0.927  0.836  0.666  1.0
  O  O19  1  0.945  0.255  0.080  1.0
  O  O20  1  0.728  0.576  0.931  1.0
  O  O21  1  0.854  0.680  0.258  1.0
  O  O22  1  0.673  0.800  0.739  1.0
  O  O23  1  0.652  0.325  0.577  1.0
  O  O24  1  0.066  0.820  0.145  1.0
  O  O25  1  0.811  0.054  0.671  1.0
  O  O26  1  0.428  0.099  0.247  1.0
  O  O27  1  0.346  0.162  0.926  1.0
  O  O28  1  0.190  0.767  0.857  1.0
  O  O29  1  0.603  0.737  0.421  1.0
  O  O30  1  0.239  0.937  0.597  1.0
  O  O31  1  0.754  0.187  0.355  1.0
  O  O32  1  0.166  0.341  0.407  1.0
  O  O33  1  0.571  0.156  0.820  1.0
  O  O34  1  0.325  0.658  0.080  1.0
[/CIF]
.