The structure described by Ni7(PO4)6 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), one O(8), one O(9), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(4), one O(7), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the third Ni site, Ni(3) is bonded to one O(10), one O(11), one O(5), one O(7), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 63°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and  a cornercorner with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-55°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-60°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 28-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ni(3), one Ni(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ni(3) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(3) atom. is represented by the CIF file [CIF]
data_Ni7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.366
_cell_length_b   7.948
_cell_length_c   9.374
_cell_angle_alpha   104.906
_cell_angle_beta   108.106
_cell_angle_gamma   101.160
_symmetry_Int_Tables_number   1
_cell_volume   415.849
_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  0.955  0.286  0.481  1.0
  Ni  Ni1  1  0.730  0.201  0.718  1.0
  Ni  Ni2  1  0.385  0.457  0.110  1.0
  Ni  Ni3  1  0.615  0.543  0.890  1.0
  Ni  Ni4  1  0.270  0.799  0.282  1.0
  Ni  Ni5  1  0.045  0.714  0.519  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.906  0.404  0.166  1.0
  P  P8  1  0.772  0.858  0.229  1.0
  P  P9  1  0.403  0.233  0.374  1.0
  P  P10  1  0.597  0.767  0.626  1.0
  P  P11  1  0.228  0.142  0.771  1.0
  P  P12  1  0.094  0.596  0.834  1.0
  O  O13  1  0.885  0.208  0.080  1.0
  O  O14  1  0.930  0.446  0.343  1.0
  O  O15  1  0.791  0.059  0.293  1.0
  O  O16  1  0.983  0.813  0.334  1.0
  O  O17  1  0.775  0.813  0.058  1.0
  O  O18  1  0.690  0.458  0.082  1.0
  O  O19  1  0.877  0.468  0.837  1.0
  O  O20  1  0.632  0.233  0.499  1.0
  O  O21  1  0.740  0.715  0.527  1.0
  O  O22  1  0.544  0.743  0.229  1.0
  O  O23  1  0.458  0.367  0.292  1.0
  O  O24  1  0.276  0.039  0.243  1.0
  O  O25  1  0.724  0.961  0.757  1.0
  O  O26  1  0.542  0.633  0.708  1.0
  O  O27  1  0.456  0.257  0.771  1.0
  O  O28  1  0.260  0.285  0.473  1.0
  O  O29  1  0.368  0.767  0.501  1.0
  O  O30  1  0.123  0.532  0.163  1.0
  O  O31  1  0.310  0.542  0.918  1.0
  O  O32  1  0.225  0.187  0.942  1.0
  O  O33  1  0.017  0.187  0.666  1.0
  O  O34  1  0.209  0.941  0.707  1.0
  O  O35  1  0.070  0.554  0.657  1.0
  O  O36  1  0.115  0.792  0.920  1.0
[/CIF]
.
The structure described by Ni7(PO4)6 crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), one O(8), one O(9), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(4), one O(7), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the third Ni site, Ni(3) is bonded to one O(10), one O(11), one O(5), one O(7), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 63°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and  a cornercorner with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-55°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 36-60°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent Ni(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 28-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(4) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ni(3), one Ni(4), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ni(3) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(4), and one P(3) atom. is represented by the CIF file [CIF]
data_Ni7(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.366
_cell_length_b   7.948
_cell_length_c   9.374
_cell_angle_alpha   104.906
_cell_angle_beta   108.106
_cell_angle_gamma   101.160
_symmetry_Int_Tables_number   1
_cell_volume   415.849
_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  0.955  0.286  0.481  1.0
  Ni  Ni1  1  0.730  0.201  0.718  1.0
  Ni  Ni2  1  0.385  0.457  0.110  1.0
  Ni  Ni3  1  0.615  0.543  0.890  1.0
  Ni  Ni4  1  0.270  0.799  0.282  1.0
  Ni  Ni5  1  0.045  0.714  0.519  1.0
  Ni  Ni6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.906  0.404  0.166  1.0
  P  P8  1  0.772  0.858  0.229  1.0
  P  P9  1  0.403  0.233  0.374  1.0
  P  P10  1  0.597  0.767  0.626  1.0
  P  P11  1  0.228  0.142  0.771  1.0
  P  P12  1  0.094  0.596  0.834  1.0
  O  O13  1  0.885  0.208  0.080  1.0
  O  O14  1  0.930  0.446  0.343  1.0
  O  O15  1  0.791  0.059  0.293  1.0
  O  O16  1  0.983  0.813  0.334  1.0
  O  O17  1  0.775  0.813  0.058  1.0
  O  O18  1  0.690  0.458  0.082  1.0
  O  O19  1  0.877  0.468  0.837  1.0
  O  O20  1  0.632  0.233  0.499  1.0
  O  O21  1  0.740  0.715  0.527  1.0
  O  O22  1  0.544  0.743  0.229  1.0
  O  O23  1  0.458  0.367  0.292  1.0
  O  O24  1  0.276  0.039  0.243  1.0
  O  O25  1  0.724  0.961  0.757  1.0
  O  O26  1  0.542  0.633  0.708  1.0
  O  O27  1  0.456  0.257  0.771  1.0
  O  O28  1  0.260  0.285  0.473  1.0
  O  O29  1  0.368  0.767  0.501  1.0
  O  O30  1  0.123  0.532  0.163  1.0
  O  O31  1  0.310  0.542  0.918  1.0
  O  O32  1  0.225  0.187  0.942  1.0
  O  O33  1  0.017  0.187  0.666  1.0
  O  O34  1  0.209  0.941  0.707  1.0
  O  O35  1  0.070  0.554  0.657  1.0
  O  O36  1  0.115  0.792  0.920  1.0
[/CIF]
.