The material structure described by Sb5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(12), one O(15), one O(20), one O(24), and one O(4) atom to form SbO5 square pyramids that share  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(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(10), one O(21), one O(22), one O(23), and one O(5) atom to form SbO6 octahedra that share  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 third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(18), one O(7), and one O(8) atom. In the fourth Sb site, Sb(4) is bonded to one O(13), one O(17), one O(19), one O(2), and one O(6) atom to form SbO5 square pyramids that share  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 Sb site, Sb(5) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(18), one O(3), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(23), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra and  a cornercorner with one Sb(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(10), one O(17), one O(18), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 21°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 26°. In the fourth P site, P(4) is bonded to one O(1), one O(16), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the fifth P site, P(5) is bonded to one O(12), one O(2), one O(21), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the sixth P site, P(6) is bonded to one O(19), one O(22), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 39°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(4) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sb(5) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sb(4) and one P(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sb(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sb(5) and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Sb(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Sb(5) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Sb(4) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Sb(3), one Sb(5), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Sb(4) and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sb5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.694
_cell_length_b   8.805
_cell_length_c   8.953
_cell_angle_alpha   104.752
_cell_angle_beta   111.673
_cell_angle_gamma   110.916
_symmetry_Int_Tables_number   1
_cell_volume   532.693
_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
  Sb  Sb0  1  0.957  0.281  0.445  1.0
  Sb  Sb1  1  0.313  0.493  0.023  1.0
  Sb  Sb2  1  0.029  0.830  0.476  1.0
  Sb  Sb3  1  0.687  0.674  0.699  1.0
  Sb  Sb4  1  0.554  0.075  0.897  1.0
  P  P5  1  0.641  0.396  0.229  1.0
  P  P6  1  0.363  0.286  0.672  1.0
  P  P7  1  0.736  0.841  0.114  1.0
  P  P8  1  0.133  0.734  0.850  1.0
  P  P9  1  0.251  0.607  0.377  1.0
  P  P10  1  0.879  0.120  0.756  1.0
  O  O11  1  0.147  0.567  0.879  1.0
  O  O12  1  0.427  0.686  0.569  1.0
  O  O13  1  0.682  0.342  0.073  1.0
  O  O14  1  0.667  0.284  0.332  1.0
  O  O15  1  0.555  0.723  0.117  1.0
  O  O16  1  0.946  0.704  0.858  1.0
  O  O17  1  0.096  0.695  0.657  1.0
  O  O18  1  0.177  0.744  0.385  1.0
  O  O19  1  0.728  0.145  0.794  1.0
  O  O20  1  0.324  0.396  0.805  1.0
  O  O21  1  0.901  0.812  0.206  1.0
  O  O22  1  0.096  0.414  0.308  1.0
  O  O23  1  0.680  0.801  0.915  1.0
  O  O24  1  0.771  0.601  0.356  1.0
  O  O25  1  0.783  0.043  0.201  1.0
  O  O26  1  0.304  0.917  0.991  1.0
  O  O27  1  0.554  0.415  0.694  1.0
  O  O28  1  0.380  0.127  0.712  1.0
  O  O29  1  0.860  0.931  0.730  1.0
  O  O30  1  0.185  0.198  0.486  1.0
  O  O31  1  0.332  0.624  0.248  1.0
  O  O32  1  0.078  0.261  0.930  1.0
  O  O33  1  0.432  0.365  0.143  1.0
  O  O34  1  0.860  0.136  0.586  1.0
[/CIF]
.
The material structure described by Sb5(PO4)6 crystallizes in the triclinic P1 space group. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(12), one O(15), one O(20), one O(24), and one O(4) atom to form SbO5 square pyramids that share  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(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(10), one O(21), one O(22), one O(23), and one O(5) atom to form SbO6 octahedra that share  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 third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(18), one O(7), and one O(8) atom. In the fourth Sb site, Sb(4) is bonded to one O(13), one O(17), one O(19), one O(2), and one O(6) atom to form SbO5 square pyramids that share  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 Sb site, Sb(5) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(18), one O(3), and one O(9) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(23), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra and  a cornercorner with one Sb(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 47°. In the second P site, P(2) is bonded to one O(10), one O(17), one O(18), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 21°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 26°. In the fourth P site, P(4) is bonded to one O(1), one O(16), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the fifth P site, P(5) is bonded to one O(12), one O(2), one O(21), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 35°. In the sixth P site, P(6) is bonded to one O(19), one O(22), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(1)O5 square pyramid, and  a cornercorner with one Sb(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 39°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(4) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sb(5) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Sb(4) and one P(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sb(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sb(5) and one P(6) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Sb(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Sb(5) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Sb(4) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Sb(3), one Sb(5), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Sb(4) and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sb5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.694
_cell_length_b   8.805
_cell_length_c   8.953
_cell_angle_alpha   104.752
_cell_angle_beta   111.673
_cell_angle_gamma   110.916
_symmetry_Int_Tables_number   1
_cell_volume   532.693
_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
  Sb  Sb0  1  0.957  0.281  0.445  1.0
  Sb  Sb1  1  0.313  0.493  0.023  1.0
  Sb  Sb2  1  0.029  0.830  0.476  1.0
  Sb  Sb3  1  0.687  0.674  0.699  1.0
  Sb  Sb4  1  0.554  0.075  0.897  1.0
  P  P5  1  0.641  0.396  0.229  1.0
  P  P6  1  0.363  0.286  0.672  1.0
  P  P7  1  0.736  0.841  0.114  1.0
  P  P8  1  0.133  0.734  0.850  1.0
  P  P9  1  0.251  0.607  0.377  1.0
  P  P10  1  0.879  0.120  0.756  1.0
  O  O11  1  0.147  0.567  0.879  1.0
  O  O12  1  0.427  0.686  0.569  1.0
  O  O13  1  0.682  0.342  0.073  1.0
  O  O14  1  0.667  0.284  0.332  1.0
  O  O15  1  0.555  0.723  0.117  1.0
  O  O16  1  0.946  0.704  0.858  1.0
  O  O17  1  0.096  0.695  0.657  1.0
  O  O18  1  0.177  0.744  0.385  1.0
  O  O19  1  0.728  0.145  0.794  1.0
  O  O20  1  0.324  0.396  0.805  1.0
  O  O21  1  0.901  0.812  0.206  1.0
  O  O22  1  0.096  0.414  0.308  1.0
  O  O23  1  0.680  0.801  0.915  1.0
  O  O24  1  0.771  0.601  0.356  1.0
  O  O25  1  0.783  0.043  0.201  1.0
  O  O26  1  0.304  0.917  0.991  1.0
  O  O27  1  0.554  0.415  0.694  1.0
  O  O28  1  0.380  0.127  0.712  1.0
  O  O29  1  0.860  0.931  0.730  1.0
  O  O30  1  0.185  0.198  0.486  1.0
  O  O31  1  0.332  0.624  0.248  1.0
  O  O32  1  0.078  0.261  0.930  1.0
  O  O33  1  0.432  0.365  0.143  1.0
  O  O34  1  0.860  0.136  0.586  1.0
[/CIF]
.