The compound described by Ni7(PO4)6 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the third Ni site, Ni(3) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. 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(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-59°. In the second P site, P(2) is bonded to one O(6), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one P(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Ni(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.836
_cell_length_b   8.836
_cell_length_c   6.532
_cell_angle_alpha   81.387
_cell_angle_beta   98.613
_cell_angle_gamma   74.441
_symmetry_Int_Tables_number   1
_cell_volume   476.003
_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  0.644  0.971  0.190  1.0
  Ni  Ni1  1  0.622  0.614  0.003  1.0
  Ni  Ni2  1  0.364  0.021  0.816  1.0
  Ni  Ni3  1  0.386  0.378  0.003  1.0
  Ni  Ni4  1  0.004  0.996  0.003  1.0
  Ni  Ni5  1  0.979  0.636  0.816  1.0
  Ni  Ni6  1  0.029  0.356  0.190  1.0
  P  P7  1  0.109  0.284  0.729  1.0
  P  P8  1  0.293  0.101  0.278  1.0
  P  P9  1  0.307  0.693  0.018  1.0
  P  P10  1  0.702  0.298  0.989  1.0
  P  P11  1  0.716  0.891  0.729  1.0
  P  P12  1  0.899  0.707  0.278  1.0
  O  O13  1  0.356  0.017  0.508  1.0
  O  O14  1  0.898  0.881  0.791  1.0
  O  O15  1  0.025  0.347  0.498  1.0
  O  O16  1  0.716  0.720  0.232  1.0
  O  O17  1  0.790  0.394  0.123  1.0
  O  O18  1  0.729  0.707  0.775  1.0
  O  O19  1  0.890  0.889  0.216  1.0
  O  O20  1  0.119  0.102  0.791  1.0
  O  O21  1  0.020  0.392  0.865  1.0
  O  O22  1  0.111  0.110  0.216  1.0
  O  O23  1  0.983  0.644  0.508  1.0
  O  O24  1  0.293  0.271  0.775  1.0
  O  O25  1  0.218  0.597  0.883  1.0
  O  O26  1  0.280  0.284  0.232  1.0
  O  O27  1  0.608  0.980  0.865  1.0
  O  O28  1  0.195  0.805  0.120  1.0
  O  O29  1  0.403  0.782  0.883  1.0
  O  O30  1  0.446  0.554  0.169  1.0
  O  O31  1  0.988  0.599  0.141  1.0
  O  O32  1  0.653  0.975  0.498  1.0
  O  O33  1  0.563  0.437  0.838  1.0
  O  O34  1  0.606  0.210  0.123  1.0
  O  O35  1  0.814  0.186  0.887  1.0
  O  O36  1  0.401  0.012  0.141  1.0
[/CIF]
.
The compound described by Ni7(PO4)6 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the third Ni site, Ni(3) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. 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(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-59°. In the second P site, P(2) is bonded to one O(6), one O(7), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the second O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ni(3) and one P(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Ni(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.836
_cell_length_b   8.836
_cell_length_c   6.532
_cell_angle_alpha   81.387
_cell_angle_beta   98.613
_cell_angle_gamma   74.441
_symmetry_Int_Tables_number   1
_cell_volume   476.003
_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  0.644  0.971  0.190  1.0
  Ni  Ni1  1  0.622  0.614  0.003  1.0
  Ni  Ni2  1  0.364  0.021  0.816  1.0
  Ni  Ni3  1  0.386  0.378  0.003  1.0
  Ni  Ni4  1  0.004  0.996  0.003  1.0
  Ni  Ni5  1  0.979  0.636  0.816  1.0
  Ni  Ni6  1  0.029  0.356  0.190  1.0
  P  P7  1  0.109  0.284  0.729  1.0
  P  P8  1  0.293  0.101  0.278  1.0
  P  P9  1  0.307  0.693  0.018  1.0
  P  P10  1  0.702  0.298  0.989  1.0
  P  P11  1  0.716  0.891  0.729  1.0
  P  P12  1  0.899  0.707  0.278  1.0
  O  O13  1  0.356  0.017  0.508  1.0
  O  O14  1  0.898  0.881  0.791  1.0
  O  O15  1  0.025  0.347  0.498  1.0
  O  O16  1  0.716  0.720  0.232  1.0
  O  O17  1  0.790  0.394  0.123  1.0
  O  O18  1  0.729  0.707  0.775  1.0
  O  O19  1  0.890  0.889  0.216  1.0
  O  O20  1  0.119  0.102  0.791  1.0
  O  O21  1  0.020  0.392  0.865  1.0
  O  O22  1  0.111  0.110  0.216  1.0
  O  O23  1  0.983  0.644  0.508  1.0
  O  O24  1  0.293  0.271  0.775  1.0
  O  O25  1  0.218  0.597  0.883  1.0
  O  O26  1  0.280  0.284  0.232  1.0
  O  O27  1  0.608  0.980  0.865  1.0
  O  O28  1  0.195  0.805  0.120  1.0
  O  O29  1  0.403  0.782  0.883  1.0
  O  O30  1  0.446  0.554  0.169  1.0
  O  O31  1  0.988  0.599  0.141  1.0
  O  O32  1  0.653  0.975  0.498  1.0
  O  O33  1  0.563  0.437  0.838  1.0
  O  O34  1  0.606  0.210  0.123  1.0
  O  O35  1  0.814  0.186  0.887  1.0
  O  O36  1  0.401  0.012  0.141  1.0
[/CIF]
.