The compound described by NbO2F crystallizes in the monoclinic Cc space group. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. F(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.610
_cell_length_c   5.390
_cell_angle_alpha   119.498
_cell_angle_beta   61.402
_cell_angle_gamma   119.498
_symmetry_Int_Tables_number   1
_cell_volume   117.311
_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
  Nb  Nb0  1  0.680  0.140  0.744  1.0
  Nb  Nb1  1  0.244  0.640  0.180  1.0
  O  O2  1  0.040  0.415  0.897  1.0
  O  O3  1  0.465  0.401  0.052  1.0
  O  O4  1  0.397  0.915  0.540  1.0
  O  O5  1  0.552  0.901  0.965  1.0
  F  F6  1  0.894  0.408  0.470  1.0
  F  F7  1  0.970  0.908  0.394  1.0
[/CIF]
.
The compound described by NbO2F crystallizes in the monoclinic Cc space group. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. F(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_NbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   5.610
_cell_length_c   5.390
_cell_angle_alpha   119.498
_cell_angle_beta   61.402
_cell_angle_gamma   119.498
_symmetry_Int_Tables_number   1
_cell_volume   117.311
_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
  Nb  Nb0  1  0.680  0.140  0.744  1.0
  Nb  Nb1  1  0.244  0.640  0.180  1.0
  O  O2  1  0.040  0.415  0.897  1.0
  O  O3  1  0.465  0.401  0.052  1.0
  O  O4  1  0.397  0.915  0.540  1.0
  O  O5  1  0.552  0.901  0.965  1.0
  F  F6  1  0.894  0.408  0.470  1.0
  F  F7  1  0.970  0.908  0.394  1.0
[/CIF]
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