The compound described by Fe2Ni3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Sb(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. Sb(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom. is represented by the CIF file [CIF]
data_Fe2Ni3Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.455
_cell_length_b   8.455
_cell_length_c   8.455
_cell_angle_alpha   61.737
_cell_angle_beta   61.737
_cell_angle_gamma   61.737
_symmetry_Int_Tables_number   1
_cell_volume   444.065
_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
  Fe  Fe0  1  0.010  0.010  0.010  1.0
  Fe  Fe1  1  0.499  0.499  0.499  1.0
  Ni  Ni2  1  0.146  0.146  0.146  1.0
  Ni  Ni3  1  0.356  0.356  0.356  1.0
  Ni  Ni4  1  0.642  0.642  0.642  1.0
  Sb  Sb5  1  0.857  0.857  0.857  1.0
  P  P6  1  0.453  0.743  0.048  1.0
  P  P7  1  0.542  0.254  0.950  1.0
  P  P8  1  0.950  0.542  0.254  1.0
  P  P9  1  0.254  0.950  0.542  1.0
  P  P10  1  0.743  0.048  0.453  1.0
  P  P11  1  0.048  0.453  0.743  1.0
  O  O12  1  0.318  0.103  0.513  1.0
  O  O13  1  0.513  0.318  0.103  1.0
  O  O14  1  0.903  0.060  0.255  1.0
  O  O15  1  0.103  0.513  0.318  1.0
  O  O16  1  0.820  0.010  0.610  1.0
  O  O17  1  0.597  0.250  0.443  1.0
  O  O18  1  0.060  0.255  0.903  1.0
  O  O19  1  0.250  0.443  0.597  1.0
  O  O20  1  0.395  0.177  0.988  1.0
  O  O21  1  0.443  0.597  0.250  1.0
  O  O22  1  0.752  0.090  0.937  1.0
  O  O23  1  0.988  0.395  0.177  1.0
  O  O24  1  0.010  0.610  0.820  1.0
  O  O25  1  0.255  0.903  0.060  1.0
  O  O26  1  0.565  0.401  0.746  1.0
  O  O27  1  0.610  0.820  0.010  1.0
  O  O28  1  0.746  0.565  0.401  1.0
  O  O29  1  0.937  0.752  0.090  1.0
  O  O30  1  0.401  0.746  0.565  1.0
  O  O31  1  0.177  0.988  0.395  1.0
  O  O32  1  0.895  0.500  0.672  1.0
  O  O33  1  0.090  0.937  0.752  1.0
  O  O34  1  0.500  0.672  0.895  1.0
  O  O35  1  0.672  0.895  0.500  1.0
[/CIF]
.
The compound described by Fe2Ni3Sb(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Sb(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(2)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. Sb(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-57°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, and  a cornercorner with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(2), one Ni(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom. is represented by the CIF file [CIF]
data_Fe2Ni3Sb(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.455
_cell_length_b   8.455
_cell_length_c   8.455
_cell_angle_alpha   61.737
_cell_angle_beta   61.737
_cell_angle_gamma   61.737
_symmetry_Int_Tables_number   1
_cell_volume   444.065
_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
  Fe  Fe0  1  0.010  0.010  0.010  1.0
  Fe  Fe1  1  0.499  0.499  0.499  1.0
  Ni  Ni2  1  0.146  0.146  0.146  1.0
  Ni  Ni3  1  0.356  0.356  0.356  1.0
  Ni  Ni4  1  0.642  0.642  0.642  1.0
  Sb  Sb5  1  0.857  0.857  0.857  1.0
  P  P6  1  0.453  0.743  0.048  1.0
  P  P7  1  0.542  0.254  0.950  1.0
  P  P8  1  0.950  0.542  0.254  1.0
  P  P9  1  0.254  0.950  0.542  1.0
  P  P10  1  0.743  0.048  0.453  1.0
  P  P11  1  0.048  0.453  0.743  1.0
  O  O12  1  0.318  0.103  0.513  1.0
  O  O13  1  0.513  0.318  0.103  1.0
  O  O14  1  0.903  0.060  0.255  1.0
  O  O15  1  0.103  0.513  0.318  1.0
  O  O16  1  0.820  0.010  0.610  1.0
  O  O17  1  0.597  0.250  0.443  1.0
  O  O18  1  0.060  0.255  0.903  1.0
  O  O19  1  0.250  0.443  0.597  1.0
  O  O20  1  0.395  0.177  0.988  1.0
  O  O21  1  0.443  0.597  0.250  1.0
  O  O22  1  0.752  0.090  0.937  1.0
  O  O23  1  0.988  0.395  0.177  1.0
  O  O24  1  0.010  0.610  0.820  1.0
  O  O25  1  0.255  0.903  0.060  1.0
  O  O26  1  0.565  0.401  0.746  1.0
  O  O27  1  0.610  0.820  0.010  1.0
  O  O28  1  0.746  0.565  0.401  1.0
  O  O29  1  0.937  0.752  0.090  1.0
  O  O30  1  0.401  0.746  0.565  1.0
  O  O31  1  0.177  0.988  0.395  1.0
  O  O32  1  0.895  0.500  0.672  1.0
  O  O33  1  0.090  0.937  0.752  1.0
  O  O34  1  0.500  0.672  0.895  1.0
  O  O35  1  0.672  0.895  0.500  1.0
[/CIF]
.