The structure described by Ni5(PO4)4 crystallizes in the triclinic P-1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(14), one O(4), one O(6), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the fifth Ni site, Ni(5) is bonded to two equivalent O(11), two equivalent O(15), 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(4)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(16) 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, and edges with two equivalent Ni(4)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(15), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  a cornercorner with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-53°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(16), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  a cornercorner with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-53°. In the third P site, P(3) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, corners with two equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth P site, P(4) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(6), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(5), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(4), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ni(2), one Ni(3), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Ni(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ni(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ni(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(5), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ni(4), one Ni(6), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ni(5) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Ni(6) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   7.932
_cell_length_c   8.247
_cell_angle_alpha   112.073
_cell_angle_beta   90.309
_cell_angle_gamma   100.742
_symmetry_Int_Tables_number   1
_cell_volume   300.502
_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  0.650  0.406  0.678  1.0
  Ni  Ni1  1  0.350  0.594  0.322  1.0
  Ni  Ni2  1  0.102  0.237  0.765  1.0
  Ni  Ni3  1  0.898  0.763  0.235  1.0
  Ni  Ni4  1  1.000  1.000  0.000  1.0
  O  O5  1  0.928  0.970  0.738  1.0
  O  O6  1  0.072  0.030  0.262  1.0
  O  O7  1  0.229  0.673  0.130  1.0
  O  O8  1  0.771  0.327  0.870  1.0
  O  O9  1  0.086  0.753  0.449  1.0
  O  O10  1  0.914  0.247  0.551  1.0
  O  O11  1  0.649  0.815  0.443  1.0
  O  O12  1  0.351  0.185  0.557  1.0
  O  O13  1  0.257  0.375  0.377  1.0
  O  O14  1  0.743  0.626  0.623  1.0
  O  O15  1  0.311  0.219  0.967  1.0
  O  O16  1  0.689  0.780  0.033  1.0
  O  O17  1  0.351  0.504  0.825  1.0
  O  O18  1  0.649  0.495  0.175  1.0
  O  O19  1  0.254  0.827  0.912  1.0
  O  O20  1  0.746  0.173  0.088  1.0
  P  P21  1  0.382  0.701  0.975  1.0
  P  P22  1  0.618  0.299  0.025  1.0
  P  P23  1  0.148  0.212  0.426  1.0
  P  P24  1  0.852  0.788  0.574  1.0
[/CIF]
.
The structure described by Ni5(PO4)4 crystallizes in the triclinic P-1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(14), one O(4), one O(6), and one O(8) atom to form NiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, and  an edgeedge with one Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(11), one O(13), one O(2), one O(4), one O(6), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(5)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(12), one O(14), one O(3), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Ni(6)O6 octahedra,  an edgeedge with one P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and  an edgeedge with one Ni(2)O5 trigonal bipyramid. In the fifth Ni site, Ni(5) is bonded to two equivalent O(11), two equivalent O(15), 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(4)O4 tetrahedra, and edges with two equivalent Ni(3)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to two equivalent O(1), two equivalent O(12), and two equivalent O(16) 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, and edges with two equivalent Ni(4)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(15), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  a cornercorner with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-53°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(16), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, and  a cornercorner with one Ni(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-53°. In the third P site, P(3) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra,  a cornercorner with one Ni(2)O5 trigonal bipyramid, corners with two equivalent Ni(1)O5 trigonal bipyramids, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth P site, P(4) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(1)O5 trigonal bipyramid, corners with two equivalent Ni(2)O5 trigonal bipyramids, and  an edgeedge with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(4), one Ni(6), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ni(3), one Ni(5), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(4), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(2), one Ni(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(4), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ni(2), one Ni(3), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ni(2), one Ni(4), and one P(4) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ni(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ni(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(5), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ni(4), one Ni(6), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ni(2), one Ni(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ni(5) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Ni(6) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni5(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.063
_cell_length_b   7.932
_cell_length_c   8.247
_cell_angle_alpha   112.073
_cell_angle_beta   90.309
_cell_angle_gamma   100.742
_symmetry_Int_Tables_number   1
_cell_volume   300.502
_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  0.650  0.406  0.678  1.0
  Ni  Ni1  1  0.350  0.594  0.322  1.0
  Ni  Ni2  1  0.102  0.237  0.765  1.0
  Ni  Ni3  1  0.898  0.763  0.235  1.0
  Ni  Ni4  1  1.000  1.000  0.000  1.0
  O  O5  1  0.928  0.970  0.738  1.0
  O  O6  1  0.072  0.030  0.262  1.0
  O  O7  1  0.229  0.673  0.130  1.0
  O  O8  1  0.771  0.327  0.870  1.0
  O  O9  1  0.086  0.753  0.449  1.0
  O  O10  1  0.914  0.247  0.551  1.0
  O  O11  1  0.649  0.815  0.443  1.0
  O  O12  1  0.351  0.185  0.557  1.0
  O  O13  1  0.257  0.375  0.377  1.0
  O  O14  1  0.743  0.626  0.623  1.0
  O  O15  1  0.311  0.219  0.967  1.0
  O  O16  1  0.689  0.780  0.033  1.0
  O  O17  1  0.351  0.504  0.825  1.0
  O  O18  1  0.649  0.495  0.175  1.0
  O  O19  1  0.254  0.827  0.912  1.0
  O  O20  1  0.746  0.173  0.088  1.0
  P  P21  1  0.382  0.701  0.975  1.0
  P  P22  1  0.618  0.299  0.025  1.0
  P  P23  1  0.148  0.212  0.426  1.0
  P  P24  1  0.852  0.788  0.574  1.0
[/CIF]
.