The crystal structure described by Ni5Te(PO4)6 crystallizes in the trigonal R3 space group. There are five 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 Ni(4)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(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 Ni(3)O6 octahedra. In the third Ni site, Ni(3) 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 Ni(2)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent O(2) and three equivalent O(5) 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 Ni(1)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to three equivalent O(1) and three equivalent O(7) 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 Ni(3)O6 octahedra. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-54°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. Te(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form 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 Ni(5) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one P(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(5), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Ni5Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.502
_cell_length_b   8.502
_cell_length_c   8.502
_cell_angle_alpha   61.168
_cell_angle_beta   61.168
_cell_angle_gamma   61.168
_symmetry_Int_Tables_number   1
_cell_volume   446.052
_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
  Ni  Ni0  1  0.993  0.993  0.993  1.0
  Ni  Ni1  1  0.642  0.642  0.642  1.0
  Ni  Ni2  1  0.501  0.501  0.501  1.0
  Ni  Ni3  1  0.856  0.856  0.856  1.0
  Ni  Ni4  1  0.360  0.360  0.360  1.0
  Te  Te5  1  0.142  0.142  0.142  1.0
  P  P6  1  0.952  0.256  0.549  1.0
  P  P7  1  0.549  0.952  0.256  1.0
  P  P8  1  0.256  0.549  0.952  1.0
  P  P9  1  0.743  0.462  0.049  1.0
  P  P10  1  0.462  0.049  0.743  1.0
  P  P11  1  0.049  0.743  0.462  1.0
  O  O12  1  0.499  0.109  0.323  1.0
  O  O13  1  0.323  0.499  0.109  1.0
  O  O14  1  0.109  0.323  0.499  1.0
  O  O15  1  0.944  0.090  0.739  1.0
  O  O16  1  0.988  0.185  0.384  1.0
  O  O17  1  0.755  0.406  0.557  1.0
  O  O18  1  0.739  0.944  0.090  1.0
  O  O19  1  0.557  0.755  0.406  1.0
  O  O20  1  0.817  0.609  0.015  1.0
  O  O21  1  0.406  0.557  0.755  1.0
  O  O22  1  0.915  0.252  0.060  1.0
  O  O23  1  0.609  0.015  0.817  1.0
  O  O24  1  0.384  0.988  0.185  1.0
  O  O25  1  0.090  0.739  0.944  1.0
  O  O26  1  0.597  0.433  0.251  1.0
  O  O27  1  0.185  0.384  0.988  1.0
  O  O28  1  0.433  0.251  0.597  1.0
  O  O29  1  0.252  0.060  0.915  1.0
  O  O30  1  0.251  0.597  0.433  1.0
  O  O31  1  0.015  0.817  0.609  1.0
  O  O32  1  0.060  0.915  0.252  1.0
  O  O33  1  0.894  0.687  0.486  1.0
  O  O34  1  0.687  0.486  0.894  1.0
  O  O35  1  0.486  0.894  0.687  1.0
[/CIF]
.
The crystal structure described by Ni5Te(PO4)6 crystallizes in the trigonal R3 space group. There are five 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 Ni(4)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(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 Ni(3)O6 octahedra. In the third Ni site, Ni(3) 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 Ni(2)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to three equivalent O(2) and three equivalent O(5) 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 Ni(1)O6 octahedra. In the fifth Ni site, Ni(5) is bonded to three equivalent O(1) and three equivalent O(7) 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 Ni(3)O6 octahedra. There are two inequivalent P sites. In the first P site, 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  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-54°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, and  a cornercorner with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. Te(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form 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 Ni(5) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(4), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(1), one P(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(5), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. is represented by the CIF file [CIF]
data_Ni5Te(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.502
_cell_length_b   8.502
_cell_length_c   8.502
_cell_angle_alpha   61.168
_cell_angle_beta   61.168
_cell_angle_gamma   61.168
_symmetry_Int_Tables_number   1
_cell_volume   446.052
_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
  Ni  Ni0  1  0.993  0.993  0.993  1.0
  Ni  Ni1  1  0.642  0.642  0.642  1.0
  Ni  Ni2  1  0.501  0.501  0.501  1.0
  Ni  Ni3  1  0.856  0.856  0.856  1.0
  Ni  Ni4  1  0.360  0.360  0.360  1.0
  Te  Te5  1  0.142  0.142  0.142  1.0
  P  P6  1  0.952  0.256  0.549  1.0
  P  P7  1  0.549  0.952  0.256  1.0
  P  P8  1  0.256  0.549  0.952  1.0
  P  P9  1  0.743  0.462  0.049  1.0
  P  P10  1  0.462  0.049  0.743  1.0
  P  P11  1  0.049  0.743  0.462  1.0
  O  O12  1  0.499  0.109  0.323  1.0
  O  O13  1  0.323  0.499  0.109  1.0
  O  O14  1  0.109  0.323  0.499  1.0
  O  O15  1  0.944  0.090  0.739  1.0
  O  O16  1  0.988  0.185  0.384  1.0
  O  O17  1  0.755  0.406  0.557  1.0
  O  O18  1  0.739  0.944  0.090  1.0
  O  O19  1  0.557  0.755  0.406  1.0
  O  O20  1  0.817  0.609  0.015  1.0
  O  O21  1  0.406  0.557  0.755  1.0
  O  O22  1  0.915  0.252  0.060  1.0
  O  O23  1  0.609  0.015  0.817  1.0
  O  O24  1  0.384  0.988  0.185  1.0
  O  O25  1  0.090  0.739  0.944  1.0
  O  O26  1  0.597  0.433  0.251  1.0
  O  O27  1  0.185  0.384  0.988  1.0
  O  O28  1  0.433  0.251  0.597  1.0
  O  O29  1  0.252  0.060  0.915  1.0
  O  O30  1  0.251  0.597  0.433  1.0
  O  O31  1  0.015  0.817  0.609  1.0
  O  O32  1  0.060  0.915  0.252  1.0
  O  O33  1  0.894  0.687  0.486  1.0
  O  O34  1  0.687  0.486  0.894  1.0
  O  O35  1  0.486  0.894  0.687  1.0
[/CIF]
.