The material structure described by NiOF2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), two equivalent F(1), and three equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a T-shaped geometry to three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.906
_cell_length_b   4.003
_cell_length_c   7.580
_cell_angle_alpha   90.000
_cell_angle_beta   112.574
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.503
_cell_formula_units_Z   4
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  0.340  0.230  0.687  1.0
  Ni  Ni1  1  0.340  0.270  0.187  1.0
  Ni  Ni2  1  0.660  0.730  0.813  1.0
  Ni  Ni3  1  0.660  0.770  0.313  1.0
  O  O4  1  0.975  0.612  0.939  1.0
  O  O5  1  0.975  0.888  0.439  1.0
  O  O6  1  0.025  0.112  0.561  1.0
  O  O7  1  0.025  0.388  0.061  1.0
  F  F8  1  0.287  0.251  0.915  1.0
  F  F9  1  0.287  0.249  0.415  1.0
  F  F10  1  0.380  0.733  0.702  1.0
  F  F11  1  0.380  0.767  0.202  1.0
  F  F12  1  0.620  0.233  0.798  1.0
  F  F13  1  0.620  0.267  0.298  1.0
  F  F14  1  0.713  0.751  0.585  1.0
  F  F15  1  0.713  0.749  0.085  1.0
[/CIF]
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The material structure described by NiOF2 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), two equivalent F(1), and three equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing NiOF5 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a T-shaped geometry to three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.906
_cell_length_b   4.003
_cell_length_c   7.580
_cell_angle_alpha   90.000
_cell_angle_beta   112.574
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.503
_cell_formula_units_Z   4
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  0.340  0.230  0.687  1.0
  Ni  Ni1  1  0.340  0.270  0.187  1.0
  Ni  Ni2  1  0.660  0.730  0.813  1.0
  Ni  Ni3  1  0.660  0.770  0.313  1.0
  O  O4  1  0.975  0.612  0.939  1.0
  O  O5  1  0.975  0.888  0.439  1.0
  O  O6  1  0.025  0.112  0.561  1.0
  O  O7  1  0.025  0.388  0.061  1.0
  F  F8  1  0.287  0.251  0.915  1.0
  F  F9  1  0.287  0.249  0.415  1.0
  F  F10  1  0.380  0.733  0.702  1.0
  F  F11  1  0.380  0.767  0.202  1.0
  F  F12  1  0.620  0.233  0.798  1.0
  F  F13  1  0.620  0.267  0.298  1.0
  F  F14  1  0.713  0.751  0.585  1.0
  F  F15  1  0.713  0.749  0.085  1.0
[/CIF]
.