The structure described by Fe3Ni2Te(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-52°. In the second P site, P(2) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. Te(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) 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(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one Te(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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one P(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. is represented by the CIF card [CIF]
data_Fe3Ni2Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.528
_cell_length_b   8.528
_cell_length_c   8.528
_cell_angle_alpha   61.140
_cell_angle_beta   61.140
_cell_angle_gamma   61.140
_symmetry_Int_Tables_number   1
_cell_volume   449.821
_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  0.855  0.855  0.855  1.0
  Fe  Fe1  1  0.645  0.645  0.645  1.0
  Fe  Fe2  1  0.357  0.357  0.357  1.0
  Ni  Ni3  1  0.995  0.995  0.995  1.0
  Ni  Ni4  1  0.501  0.501  0.501  1.0
  Te  Te5  1  0.144  0.144  0.144  1.0
  P  P6  1  0.047  0.744  0.461  1.0
  P  P7  1  0.744  0.461  0.047  1.0
  P  P8  1  0.461  0.047  0.744  1.0
  P  P9  1  0.554  0.949  0.254  1.0
  P  P10  1  0.254  0.554  0.949  1.0
  P  P11  1  0.949  0.254  0.554  1.0
  O  O12  1  0.496  0.891  0.681  1.0
  O  O13  1  0.891  0.681  0.496  1.0
  O  O14  1  0.746  0.939  0.091  1.0
  O  O15  1  0.681  0.496  0.891  1.0
  O  O16  1  0.399  0.975  0.186  1.0
  O  O17  1  0.565  0.753  0.410  1.0
  O  O18  1  0.091  0.746  0.939  1.0
  O  O19  1  0.410  0.565  0.753  1.0
  O  O20  1  0.005  0.821  0.609  1.0
  O  O21  1  0.753  0.410  0.565  1.0
  O  O22  1  0.056  0.908  0.256  1.0
  O  O23  1  0.821  0.609  0.005  1.0
  O  O24  1  0.186  0.399  0.975  1.0
  O  O25  1  0.939  0.091  0.746  1.0
  O  O26  1  0.246  0.592  0.440  1.0
  O  O27  1  0.975  0.186  0.399  1.0
  O  O28  1  0.592  0.440  0.246  1.0
  O  O29  1  0.908  0.256  0.056  1.0
  O  O30  1  0.440  0.246  0.592  1.0
  O  O31  1  0.609  0.005  0.821  1.0
  O  O32  1  0.317  0.499  0.112  1.0
  O  O33  1  0.256  0.056  0.908  1.0
  O  O34  1  0.112  0.317  0.499  1.0
  O  O35  1  0.499  0.112  0.317  1.0
[/CIF]
.
The structure described by Fe3Ni2Te(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. In the third Fe site, Fe(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Te(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Fe(2)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-52°. In the second P site, P(2) 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 Fe(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. Te(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted TeO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) 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(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(2) and one Te(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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one P(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(3), one Ni(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. is represented by the CIF card [CIF]
data_Fe3Ni2Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.528
_cell_length_b   8.528
_cell_length_c   8.528
_cell_angle_alpha   61.140
_cell_angle_beta   61.140
_cell_angle_gamma   61.140
_symmetry_Int_Tables_number   1
_cell_volume   449.821
_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  0.855  0.855  0.855  1.0
  Fe  Fe1  1  0.645  0.645  0.645  1.0
  Fe  Fe2  1  0.357  0.357  0.357  1.0
  Ni  Ni3  1  0.995  0.995  0.995  1.0
  Ni  Ni4  1  0.501  0.501  0.501  1.0
  Te  Te5  1  0.144  0.144  0.144  1.0
  P  P6  1  0.047  0.744  0.461  1.0
  P  P7  1  0.744  0.461  0.047  1.0
  P  P8  1  0.461  0.047  0.744  1.0
  P  P9  1  0.554  0.949  0.254  1.0
  P  P10  1  0.254  0.554  0.949  1.0
  P  P11  1  0.949  0.254  0.554  1.0
  O  O12  1  0.496  0.891  0.681  1.0
  O  O13  1  0.891  0.681  0.496  1.0
  O  O14  1  0.746  0.939  0.091  1.0
  O  O15  1  0.681  0.496  0.891  1.0
  O  O16  1  0.399  0.975  0.186  1.0
  O  O17  1  0.565  0.753  0.410  1.0
  O  O18  1  0.091  0.746  0.939  1.0
  O  O19  1  0.410  0.565  0.753  1.0
  O  O20  1  0.005  0.821  0.609  1.0
  O  O21  1  0.753  0.410  0.565  1.0
  O  O22  1  0.056  0.908  0.256  1.0
  O  O23  1  0.821  0.609  0.005  1.0
  O  O24  1  0.186  0.399  0.975  1.0
  O  O25  1  0.939  0.091  0.746  1.0
  O  O26  1  0.246  0.592  0.440  1.0
  O  O27  1  0.975  0.186  0.399  1.0
  O  O28  1  0.592  0.440  0.246  1.0
  O  O29  1  0.908  0.256  0.056  1.0
  O  O30  1  0.440  0.246  0.592  1.0
  O  O31  1  0.609  0.005  0.821  1.0
  O  O32  1  0.317  0.499  0.112  1.0
  O  O33  1  0.256  0.056  0.908  1.0
  O  O34  1  0.112  0.317  0.499  1.0
  O  O35  1  0.499  0.112  0.317  1.0
[/CIF]
.