The crystal structure described by NbOF3 crystallizes in the trigonal R3c space group. Nb(1) is bonded in a 7-coordinate geometry to one O(1) and six equivalent F(1) atoms. O(1) is bonded in a single-bond geometry to one Nb(1) atom. F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   5.295
_cell_length_c   5.295
_cell_angle_alpha   71.535
_cell_angle_beta   71.535
_cell_angle_gamma   71.535
_symmetry_Int_Tables_number   1
_cell_volume   129.652
_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  0.566  0.566  0.566  1.0
  Nb  Nb1  1  0.066  0.066  0.066  1.0
  O  O2  1  0.213  0.213  0.213  1.0
  O  O3  1  0.713  0.713  0.713  1.0
  F  F4  1  0.711  0.246  0.287  1.0
  F  F5  1  0.246  0.287  0.711  1.0
  F  F6  1  0.287  0.711  0.246  1.0
  F  F7  1  0.787  0.746  0.211  1.0
  F  F8  1  0.746  0.211  0.787  1.0
  F  F9  1  0.211  0.787  0.746  1.0
[/CIF]
.
The crystal structure described by NbOF3 crystallizes in the trigonal R3c space group. Nb(1) is bonded in a 7-coordinate geometry to one O(1) and six equivalent F(1) atoms. O(1) is bonded in a single-bond geometry to one Nb(1) atom. F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   5.295
_cell_length_c   5.295
_cell_angle_alpha   71.535
_cell_angle_beta   71.535
_cell_angle_gamma   71.535
_symmetry_Int_Tables_number   1
_cell_volume   129.652
_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  0.566  0.566  0.566  1.0
  Nb  Nb1  1  0.066  0.066  0.066  1.0
  O  O2  1  0.213  0.213  0.213  1.0
  O  O3  1  0.713  0.713  0.713  1.0
  F  F4  1  0.711  0.246  0.287  1.0
  F  F5  1  0.246  0.287  0.711  1.0
  F  F6  1  0.287  0.711  0.246  1.0
  F  F7  1  0.787  0.746  0.211  1.0
  F  F8  1  0.746  0.211  0.787  1.0
  F  F9  1  0.211  0.787  0.746  1.0
[/CIF]
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