The crystal structure described by NbO2F crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and one F(1) atom to form corner-sharing NbO4F trigonal bipyramids. 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 single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.422
_cell_length_c   9.032
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.915
_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
  Nb  Nb0  1  0.151  0.637  0.129  1.0
  Nb  Nb1  1  0.349  0.363  0.629  1.0
  Nb  Nb2  1  0.651  0.863  0.871  1.0
  Nb  Nb3  1  0.849  0.137  0.371  1.0
  O  O4  1  0.059  0.904  0.253  1.0
  O  O5  1  0.954  0.657  0.962  1.0
  O  O6  1  0.546  0.343  0.462  1.0
  O  O7  1  0.441  0.096  0.753  1.0
  O  O8  1  0.559  0.596  0.747  1.0
  O  O9  1  0.454  0.843  0.038  1.0
  O  O10  1  0.046  0.157  0.538  1.0
  O  O11  1  0.941  0.404  0.247  1.0
  F  F12  1  0.089  0.623  0.622  1.0
  F  F13  1  0.411  0.377  0.122  1.0
  F  F14  1  0.589  0.877  0.378  1.0
  F  F15  1  0.911  0.123  0.878  1.0
[/CIF]
.
The crystal structure described by NbO2F crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and one F(1) atom to form corner-sharing NbO4F trigonal bipyramids. 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 single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.422
_cell_length_c   9.032
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.915
_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
  Nb  Nb0  1  0.151  0.637  0.129  1.0
  Nb  Nb1  1  0.349  0.363  0.629  1.0
  Nb  Nb2  1  0.651  0.863  0.871  1.0
  Nb  Nb3  1  0.849  0.137  0.371  1.0
  O  O4  1  0.059  0.904  0.253  1.0
  O  O5  1  0.954  0.657  0.962  1.0
  O  O6  1  0.546  0.343  0.462  1.0
  O  O7  1  0.441  0.096  0.753  1.0
  O  O8  1  0.559  0.596  0.747  1.0
  O  O9  1  0.454  0.843  0.038  1.0
  O  O10  1  0.046  0.157  0.538  1.0
  O  O11  1  0.941  0.404  0.247  1.0
  F  F12  1  0.089  0.623  0.622  1.0
  F  F13  1  0.411  0.377  0.122  1.0
  F  F14  1  0.589  0.877  0.378  1.0
  F  F15  1  0.911  0.123  0.878  1.0
[/CIF]
.