The compound described by Ni5P4(O8F)2 crystallizes in the orthorhombic Aea2 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Ni(3)O5F octahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the second Ni site, Ni(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent F(1) atoms to form corner-sharing NiO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one F(1) atom to form distorted NiO5F octahedra that share  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Ni(1)O5F octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Ni(1)O5F octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-69°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(3)O5F octahedra, corners with three equivalent Ni(1)O5F octahedra, and  an edgeedge with one Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 53-67°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(3), and one P(2) atom. In the second O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ni(3) and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(1) atom. In the eighth O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(3), and one P(2) atom. F(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Ni5P4(O8F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.082
_cell_length_b   10.082
_cell_length_c   9.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.317
_symmetry_Int_Tables_number   1
_cell_volume   763.118
_cell_formula_units_Z   2
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  0.032  0.377  0.064  1.0
  Ni  Ni1  1  0.377  0.032  0.936  1.0
  Ni  Ni2  1  0.876  0.532  0.564  1.0
  Ni  Ni3  1  0.532  0.876  0.436  1.0
  Ni  Ni4  1  0.995  0.995  0.000  1.0
  Ni  Ni5  1  0.495  0.495  0.500  1.0
  Ni  Ni6  1  0.149  0.523  0.421  1.0
  Ni  Ni7  1  0.523  0.149  0.579  1.0
  Ni  Ni8  1  0.023  0.649  0.921  1.0
  Ni  Ni9  1  0.649  0.023  0.079  1.0
  P  P10  1  0.224  0.283  0.251  1.0
  P  P11  1  0.283  0.224  0.749  1.0
  P  P12  1  0.783  0.724  0.751  1.0
  P  P13  1  0.724  0.783  0.249  1.0
  P  P14  1  0.807  0.256  0.351  1.0
  P  P15  1  0.256  0.807  0.649  1.0
  P  P16  1  0.756  0.307  0.851  1.0
  P  P17  1  0.307  0.756  0.149  1.0
  O  O18  1  0.971  0.754  0.480  1.0
  O  O19  1  0.754  0.971  0.520  1.0
  O  O20  1  0.254  0.471  0.980  1.0
  O  O21  1  0.471  0.254  0.020  1.0
  O  O22  1  0.725  0.423  0.927  1.0
  O  O23  1  0.423  0.725  0.073  1.0
  O  O24  1  0.923  0.225  0.427  1.0
  O  O25  1  0.225  0.923  0.573  1.0
  O  O26  1  0.808  0.241  0.194  1.0
  O  O27  1  0.241  0.808  0.806  1.0
  O  O28  1  0.741  0.308  0.694  1.0
  O  O29  1  0.308  0.741  0.306  1.0
  O  O30  1  0.664  0.647  0.351  1.0
  O  O31  1  0.647  0.664  0.649  1.0
  O  O32  1  0.147  0.164  0.851  1.0
  O  O33  1  0.164  0.147  0.149  1.0
  O  O34  1  0.839  0.811  0.139  1.0
  O  O35  1  0.811  0.839  0.861  1.0
  O  O36  1  0.311  0.339  0.639  1.0
  O  O37  1  0.339  0.311  0.361  1.0
  O  O38  1  0.172  0.394  0.241  1.0
  O  O39  1  0.394  0.172  0.759  1.0
  O  O40  1  0.894  0.672  0.741  1.0
  O  O41  1  0.672  0.894  0.259  1.0
  O  O42  1  0.117  0.625  0.096  1.0
  O  O43  1  0.625  0.117  0.904  1.0
  O  O44  1  0.125  0.617  0.596  1.0
  O  O45  1  0.617  0.125  0.404  1.0
  O  O46  1  0.902  0.450  0.385  1.0
  O  O47  1  0.450  0.902  0.615  1.0
  O  O48  1  0.950  0.402  0.885  1.0
  O  O49  1  0.402  0.950  0.115  1.0
  F  F50  1  0.888  0.110  0.021  1.0
  F  F51  1  0.110  0.888  0.979  1.0
  F  F52  1  0.610  0.388  0.521  1.0
  F  F53  1  0.388  0.610  0.479  1.0
[/CIF]
.
The compound described by Ni5P4(O8F)2 crystallizes in the orthorhombic Aea2 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one F(1) atom to form NiO5F octahedra that share  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Ni(3)O5F octahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the second Ni site, Ni(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent F(1) atoms to form corner-sharing NiO4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the third Ni site, Ni(3) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one F(1) atom to form distorted NiO5F octahedra that share  a cornercorner with one Ni(2)O4F2 octahedra,  a cornercorner with one Ni(1)O5F octahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Ni(1)O5F octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-69°. There are two inequivalent P sites. In the first P site, P(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ni(3)O5F octahedra, corners with three equivalent Ni(1)O5F octahedra, and  an edgeedge with one Ni(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 53-67°. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted T-shaped geometry to one Ni(1), one Ni(3), and one P(2) atom. In the second O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Ni(3) and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(1) atom. In the seventh O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Ni(3), and one P(1) atom. In the eighth O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(3), and one P(2) atom. F(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Ni5P4(O8F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.082
_cell_length_b   10.082
_cell_length_c   9.847
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.317
_symmetry_Int_Tables_number   1
_cell_volume   763.118
_cell_formula_units_Z   2
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  0.032  0.377  0.064  1.0
  Ni  Ni1  1  0.377  0.032  0.936  1.0
  Ni  Ni2  1  0.876  0.532  0.564  1.0
  Ni  Ni3  1  0.532  0.876  0.436  1.0
  Ni  Ni4  1  0.995  0.995  0.000  1.0
  Ni  Ni5  1  0.495  0.495  0.500  1.0
  Ni  Ni6  1  0.149  0.523  0.421  1.0
  Ni  Ni7  1  0.523  0.149  0.579  1.0
  Ni  Ni8  1  0.023  0.649  0.921  1.0
  Ni  Ni9  1  0.649  0.023  0.079  1.0
  P  P10  1  0.224  0.283  0.251  1.0
  P  P11  1  0.283  0.224  0.749  1.0
  P  P12  1  0.783  0.724  0.751  1.0
  P  P13  1  0.724  0.783  0.249  1.0
  P  P14  1  0.807  0.256  0.351  1.0
  P  P15  1  0.256  0.807  0.649  1.0
  P  P16  1  0.756  0.307  0.851  1.0
  P  P17  1  0.307  0.756  0.149  1.0
  O  O18  1  0.971  0.754  0.480  1.0
  O  O19  1  0.754  0.971  0.520  1.0
  O  O20  1  0.254  0.471  0.980  1.0
  O  O21  1  0.471  0.254  0.020  1.0
  O  O22  1  0.725  0.423  0.927  1.0
  O  O23  1  0.423  0.725  0.073  1.0
  O  O24  1  0.923  0.225  0.427  1.0
  O  O25  1  0.225  0.923  0.573  1.0
  O  O26  1  0.808  0.241  0.194  1.0
  O  O27  1  0.241  0.808  0.806  1.0
  O  O28  1  0.741  0.308  0.694  1.0
  O  O29  1  0.308  0.741  0.306  1.0
  O  O30  1  0.664  0.647  0.351  1.0
  O  O31  1  0.647  0.664  0.649  1.0
  O  O32  1  0.147  0.164  0.851  1.0
  O  O33  1  0.164  0.147  0.149  1.0
  O  O34  1  0.839  0.811  0.139  1.0
  O  O35  1  0.811  0.839  0.861  1.0
  O  O36  1  0.311  0.339  0.639  1.0
  O  O37  1  0.339  0.311  0.361  1.0
  O  O38  1  0.172  0.394  0.241  1.0
  O  O39  1  0.394  0.172  0.759  1.0
  O  O40  1  0.894  0.672  0.741  1.0
  O  O41  1  0.672  0.894  0.259  1.0
  O  O42  1  0.117  0.625  0.096  1.0
  O  O43  1  0.625  0.117  0.904  1.0
  O  O44  1  0.125  0.617  0.596  1.0
  O  O45  1  0.617  0.125  0.404  1.0
  O  O46  1  0.902  0.450  0.385  1.0
  O  O47  1  0.450  0.902  0.615  1.0
  O  O48  1  0.950  0.402  0.885  1.0
  O  O49  1  0.402  0.950  0.115  1.0
  F  F50  1  0.888  0.110  0.021  1.0
  F  F51  1  0.110  0.888  0.979  1.0
  F  F52  1  0.610  0.388  0.521  1.0
  F  F53  1  0.388  0.610  0.479  1.0
[/CIF]
.