The compound described by MgNi4(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one F(5), one F(6), and two equivalent F(8) atoms. 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 edge and corner-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. 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 distorted corner-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. 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 edge and corner-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles are 24°. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one O(2), one F(4), one F(7), one F(8), and two equivalent F(6) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one O(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(4), and one O(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), 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 linear geometry to 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 distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), and two equivalent Ni(3) atoms. In the sixth F site, F(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(2), and two equivalent Ni(4) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Ni(3) and one Ni(4) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ni(3), and one Ni(4) atom. is represented by the CIF card [CIF]
data_MgNi4(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.733
_cell_length_b   4.003
_cell_length_c   7.879
_cell_angle_alpha   90.661
_cell_angle_beta   115.593
_cell_angle_gamma   89.040
_symmetry_Int_Tables_number   1
_cell_volume   219.955
_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  0.804  0.227  0.137  1.0
  Ni  Ni1  1  0.310  0.225  0.671  1.0
  Ni  Ni2  1  0.308  0.286  0.168  1.0
  Ni  Ni3  1  0.675  0.708  0.813  1.0
  Ni  Ni4  1  0.663  0.790  0.339  1.0
  O  O5  1  0.968  0.636  0.949  1.0
  O  O6  1  0.946  0.953  0.408  1.0
  O  O7  1  0.034  0.086  0.580  1.0
  O  O8  1  0.022  0.376  0.071  1.0
  F  F9  1  0.325  0.258  0.926  1.0
  F  F10  1  0.308  0.258  0.420  1.0
  F  F11  1  0.389  0.729  0.701  1.0
  F  F12  1  0.378  0.778  0.205  1.0
  F  F13  1  0.653  0.213  0.853  1.0
  F  F14  1  0.635  0.283  0.275  1.0
  F  F15  1  0.711  0.724  0.591  1.0
  F  F16  1  0.720  0.736  0.099  1.0
[/CIF]
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The compound described by MgNi4(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one F(5), one F(6), and two equivalent F(8) atoms. 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 edge and corner-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. 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 distorted corner-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 1-28°. 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 edge and corner-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles are 24°. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one O(2), one F(4), one F(7), one F(8), and two equivalent F(6) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(3) and one O(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ni(4), and one O(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), 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 linear geometry to 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 distorted trigonal non-coplanar geometry to one Ni(3) and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fifth F site, F(5) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(1), and two equivalent Ni(3) atoms. In the sixth F site, F(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ni(2), and two equivalent Ni(4) atoms. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Ni(3) and one Ni(4) atom. In the eighth F site, F(8) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1), one Ni(3), and one Ni(4) atom. is represented by the CIF card [CIF]
data_MgNi4(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.733
_cell_length_b   4.003
_cell_length_c   7.879
_cell_angle_alpha   90.661
_cell_angle_beta   115.593
_cell_angle_gamma   89.040
_symmetry_Int_Tables_number   1
_cell_volume   219.955
_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  0.804  0.227  0.137  1.0
  Ni  Ni1  1  0.310  0.225  0.671  1.0
  Ni  Ni2  1  0.308  0.286  0.168  1.0
  Ni  Ni3  1  0.675  0.708  0.813  1.0
  Ni  Ni4  1  0.663  0.790  0.339  1.0
  O  O5  1  0.968  0.636  0.949  1.0
  O  O6  1  0.946  0.953  0.408  1.0
  O  O7  1  0.034  0.086  0.580  1.0
  O  O8  1  0.022  0.376  0.071  1.0
  F  F9  1  0.325  0.258  0.926  1.0
  F  F10  1  0.308  0.258  0.420  1.0
  F  F11  1  0.389  0.729  0.701  1.0
  F  F12  1  0.378  0.778  0.205  1.0
  F  F13  1  0.653  0.213  0.853  1.0
  F  F14  1  0.635  0.283  0.275  1.0
  F  F15  1  0.711  0.724  0.591  1.0
  F  F16  1  0.720  0.736  0.099  1.0
[/CIF]
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