The material structure described by Sb2(PO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(1) atom. is represented by the CIF file [CIF]
data_Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.146
_cell_length_b   9.146
_cell_length_c   9.146
_cell_angle_alpha   55.146
_cell_angle_beta   55.146
_cell_angle_gamma   55.146
_symmetry_Int_Tables_number   1
_cell_volume   479.932
_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
  Sb  Sb0  1  0.142  0.142  0.142  1.0
  Sb  Sb1  1  0.858  0.858  0.858  1.0
  Sb  Sb2  1  0.348  0.348  0.348  1.0
  Sb  Sb3  1  0.652  0.652  0.652  1.0
  P  P4  1  0.745  0.043  0.456  1.0
  P  P5  1  0.043  0.456  0.745  1.0
  P  P6  1  0.456  0.745  0.043  1.0
  P  P7  1  0.544  0.255  0.957  1.0
  P  P8  1  0.957  0.544  0.255  1.0
  P  P9  1  0.255  0.957  0.544  1.0
  O  O10  1  0.220  0.157  0.522  1.0
  O  O11  1  0.522  0.220  0.157  1.0
  O  O12  1  0.157  0.522  0.220  1.0
  O  O13  1  0.531  0.178  0.484  1.0
  O  O14  1  0.875  0.128  0.252  1.0
  O  O15  1  0.786  0.025  0.607  1.0
  O  O16  1  0.128  0.252  0.875  1.0
  O  O17  1  0.178  0.484  0.531  1.0
  O  O18  1  0.484  0.531  0.178  1.0
  O  O19  1  0.393  0.214  0.975  1.0
  O  O20  1  0.748  0.125  0.872  1.0
  O  O21  1  0.975  0.393  0.214  1.0
  O  O22  1  0.025  0.607  0.786  1.0
  O  O23  1  0.252  0.875  0.128  1.0
  O  O24  1  0.607  0.786  0.025  1.0
  O  O25  1  0.516  0.469  0.822  1.0
  O  O26  1  0.822  0.516  0.469  1.0
  O  O27  1  0.872  0.748  0.125  1.0
  O  O28  1  0.214  0.975  0.393  1.0
  O  O29  1  0.125  0.872  0.748  1.0
  O  O30  1  0.469  0.822  0.516  1.0
  O  O31  1  0.843  0.478  0.780  1.0
  O  O32  1  0.478  0.780  0.843  1.0
  O  O33  1  0.780  0.843  0.478  1.0
[/CIF]
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The material structure described by Sb2(PO4)3 crystallizes in the trigonal R-3 space group. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. In the second Sb site, Sb(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(4) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(1) atom. is represented by the CIF file [CIF]
data_Sb2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.146
_cell_length_b   9.146
_cell_length_c   9.146
_cell_angle_alpha   55.146
_cell_angle_beta   55.146
_cell_angle_gamma   55.146
_symmetry_Int_Tables_number   1
_cell_volume   479.932
_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
  Sb  Sb0  1  0.142  0.142  0.142  1.0
  Sb  Sb1  1  0.858  0.858  0.858  1.0
  Sb  Sb2  1  0.348  0.348  0.348  1.0
  Sb  Sb3  1  0.652  0.652  0.652  1.0
  P  P4  1  0.745  0.043  0.456  1.0
  P  P5  1  0.043  0.456  0.745  1.0
  P  P6  1  0.456  0.745  0.043  1.0
  P  P7  1  0.544  0.255  0.957  1.0
  P  P8  1  0.957  0.544  0.255  1.0
  P  P9  1  0.255  0.957  0.544  1.0
  O  O10  1  0.220  0.157  0.522  1.0
  O  O11  1  0.522  0.220  0.157  1.0
  O  O12  1  0.157  0.522  0.220  1.0
  O  O13  1  0.531  0.178  0.484  1.0
  O  O14  1  0.875  0.128  0.252  1.0
  O  O15  1  0.786  0.025  0.607  1.0
  O  O16  1  0.128  0.252  0.875  1.0
  O  O17  1  0.178  0.484  0.531  1.0
  O  O18  1  0.484  0.531  0.178  1.0
  O  O19  1  0.393  0.214  0.975  1.0
  O  O20  1  0.748  0.125  0.872  1.0
  O  O21  1  0.975  0.393  0.214  1.0
  O  O22  1  0.025  0.607  0.786  1.0
  O  O23  1  0.252  0.875  0.128  1.0
  O  O24  1  0.607  0.786  0.025  1.0
  O  O25  1  0.516  0.469  0.822  1.0
  O  O26  1  0.822  0.516  0.469  1.0
  O  O27  1  0.872  0.748  0.125  1.0
  O  O28  1  0.214  0.975  0.393  1.0
  O  O29  1  0.125  0.872  0.748  1.0
  O  O30  1  0.469  0.822  0.516  1.0
  O  O31  1  0.843  0.478  0.780  1.0
  O  O32  1  0.478  0.780  0.843  1.0
  O  O33  1  0.780  0.843  0.478  1.0
[/CIF]
.