The structure described by MgNi4(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), one F(1), and one F(7) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one F(1), one F(2), one F(5), and two equivalent F(3) atoms to form a mixture of distorted corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 12-33°. In the second Ni site, Ni(2) is bonded to one O(4), one F(1), one F(2), one F(6), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 12-33°. In the third Ni site, Ni(3) is bonded to one O(1), one F(3), one F(7), one F(8), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. In the fourth Ni site, Ni(4) is bonded to one O(2), one F(4), one F(7), one F(8), and two equivalent F(6) atoms to form a mixture of distorted corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(3), and one O(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(4), and one O(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1), one Ni(1), and one O(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one O(1) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one Ni(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Ni(1) and one Ni(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Ni(1) and two equivalent Ni(3) atoms. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Ni(2) and two equivalent Ni(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(3), and one Ni(4) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Ni(3) and one Ni(4) atom. is represented by the CIF file [CIF]
data_MgNi4(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.843
_cell_length_b   3.988
_cell_length_c   7.824
_cell_angle_alpha   89.267
_cell_angle_beta   116.067
_cell_angle_gamma   88.777
_symmetry_Int_Tables_number   1
_cell_volume   219.705
_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
  Mg  Mg0  1  0.022  0.575  0.698  1.0
  Ni  Ni1  1  0.347  0.210  0.673  1.0
  Ni  Ni2  1  0.324  0.310  0.176  1.0
  Ni  Ni3  1  0.681  0.703  0.829  1.0
  Ni  Ni4  1  0.668  0.793  0.310  1.0
  O  O5  1  0.964  0.611  0.934  1.0
  O  O6  1  0.967  0.865  0.441  1.0
  O  O7  1  0.045  0.061  0.601  1.0
  O  O8  1  0.043  0.414  0.089  1.0
  F  F9  1  0.261  0.337  0.884  1.0
  F  F10  1  0.311  0.234  0.417  1.0
  F  F11  1  0.385  0.715  0.694  1.0
  F  F12  1  0.377  0.803  0.183  1.0
  F  F13  1  0.633  0.208  0.792  1.0
  F  F14  1  0.619  0.287  0.300  1.0
  F  F15  1  0.744  0.702  0.595  1.0
  F  F16  1  0.681  0.756  0.073  1.0
[/CIF]
.
The structure described by MgNi4(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), one F(1), and one F(7) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one F(1), one F(2), one F(5), and two equivalent F(3) atoms to form a mixture of distorted corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 12-33°. In the second Ni site, Ni(2) is bonded to one O(4), one F(1), one F(2), one F(6), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 12-33°. In the third Ni site, Ni(3) is bonded to one O(1), one F(3), one F(7), one F(8), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. In the fourth Ni site, Ni(4) is bonded to one O(2), one F(4), one F(7), one F(8), and two equivalent F(6) atoms to form a mixture of distorted corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(3), and one O(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(4), and one O(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1), one Ni(1), and one O(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one O(1) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one Ni(2) atom. In the second F site, F(2) is bonded in a linear geometry to one Ni(1) and one Ni(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Ni(1) and two equivalent Ni(3) atoms. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Ni(2) and two equivalent Ni(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(3), and one Ni(4) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Ni(3) and one Ni(4) atom. is represented by the CIF file [CIF]
data_MgNi4(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.843
_cell_length_b   3.988
_cell_length_c   7.824
_cell_angle_alpha   89.267
_cell_angle_beta   116.067
_cell_angle_gamma   88.777
_symmetry_Int_Tables_number   1
_cell_volume   219.705
_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
  Mg  Mg0  1  0.022  0.575  0.698  1.0
  Ni  Ni1  1  0.347  0.210  0.673  1.0
  Ni  Ni2  1  0.324  0.310  0.176  1.0
  Ni  Ni3  1  0.681  0.703  0.829  1.0
  Ni  Ni4  1  0.668  0.793  0.310  1.0
  O  O5  1  0.964  0.611  0.934  1.0
  O  O6  1  0.967  0.865  0.441  1.0
  O  O7  1  0.045  0.061  0.601  1.0
  O  O8  1  0.043  0.414  0.089  1.0
  F  F9  1  0.261  0.337  0.884  1.0
  F  F10  1  0.311  0.234  0.417  1.0
  F  F11  1  0.385  0.715  0.694  1.0
  F  F12  1  0.377  0.803  0.183  1.0
  F  F13  1  0.633  0.208  0.792  1.0
  F  F14  1  0.619  0.287  0.300  1.0
  F  F15  1  0.744  0.702  0.595  1.0
  F  F16  1  0.681  0.756  0.073  1.0
[/CIF]
.