The material structure described by Bi2NbO5F crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to one O(5), two equivalent O(3), two equivalent O(4), and one F(1) atom to form corner-sharing NbO5F octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and one F(1) atom. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nb(1), one Bi(1), and one Bi(2) atom. F(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_NbBi2O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   5.471
_cell_length_c   17.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   508.587
_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  0.249  0.247  0.736  1.0
  Nb  Nb1  1  0.751  0.747  0.764  1.0
  Nb  Nb2  1  0.749  0.253  0.264  1.0
  Nb  Nb3  1  0.251  0.753  0.236  1.0
  Bi  Bi4  1  0.761  0.262  0.574  1.0
  Bi  Bi5  1  0.239  0.762  0.926  1.0
  Bi  Bi6  1  0.261  0.238  0.426  1.0
  Bi  Bi7  1  0.739  0.738  0.074  1.0
  Bi  Bi8  1  0.745  0.228  0.923  1.0
  Bi  Bi9  1  0.255  0.728  0.577  1.0
  Bi  Bi10  1  0.245  0.272  0.077  1.0
  Bi  Bi11  1  0.755  0.772  0.423  1.0
  O  O12  1  0.002  0.504  0.497  1.0
  O  O13  1  0.998  0.004  0.003  1.0
  O  O14  1  0.502  0.996  0.503  1.0
  O  O15  1  0.498  0.496  0.997  1.0
  O  O16  1  0.498  0.001  0.002  1.0
  O  O17  1  0.502  0.501  0.498  1.0
  O  O18  1  0.998  0.499  0.998  1.0
  O  O19  1  0.002  0.999  0.502  1.0
  O  O20  1  0.050  0.450  0.262  1.0
  O  O21  1  0.950  0.950  0.238  1.0
  O  O22  1  0.550  0.050  0.738  1.0
  O  O23  1  0.450  0.550  0.762  1.0
  O  O24  1  0.451  0.051  0.236  1.0
  O  O25  1  0.549  0.551  0.264  1.0
  O  O26  1  0.951  0.449  0.764  1.0
  O  O27  1  0.049  0.949  0.736  1.0
  O  O28  1  0.232  0.305  0.627  1.0
  O  O29  1  0.768  0.805  0.873  1.0
  O  O30  1  0.732  0.195  0.373  1.0
  O  O31  1  0.268  0.695  0.127  1.0
  F  F32  1  0.264  0.204  0.870  1.0
  F  F33  1  0.736  0.704  0.630  1.0
  F  F34  1  0.764  0.296  0.130  1.0
  F  F35  1  0.236  0.796  0.370  1.0
[/CIF]
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The material structure described by Bi2NbO5F crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to one O(5), two equivalent O(3), two equivalent O(4), and one F(1) atom to form corner-sharing NbO5F octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), and one F(1) atom. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nb(1), one Bi(1), and one Bi(2) atom. F(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_NbBi2O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   5.471
_cell_length_c   17.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   508.587
_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  0.249  0.247  0.736  1.0
  Nb  Nb1  1  0.751  0.747  0.764  1.0
  Nb  Nb2  1  0.749  0.253  0.264  1.0
  Nb  Nb3  1  0.251  0.753  0.236  1.0
  Bi  Bi4  1  0.761  0.262  0.574  1.0
  Bi  Bi5  1  0.239  0.762  0.926  1.0
  Bi  Bi6  1  0.261  0.238  0.426  1.0
  Bi  Bi7  1  0.739  0.738  0.074  1.0
  Bi  Bi8  1  0.745  0.228  0.923  1.0
  Bi  Bi9  1  0.255  0.728  0.577  1.0
  Bi  Bi10  1  0.245  0.272  0.077  1.0
  Bi  Bi11  1  0.755  0.772  0.423  1.0
  O  O12  1  0.002  0.504  0.497  1.0
  O  O13  1  0.998  0.004  0.003  1.0
  O  O14  1  0.502  0.996  0.503  1.0
  O  O15  1  0.498  0.496  0.997  1.0
  O  O16  1  0.498  0.001  0.002  1.0
  O  O17  1  0.502  0.501  0.498  1.0
  O  O18  1  0.998  0.499  0.998  1.0
  O  O19  1  0.002  0.999  0.502  1.0
  O  O20  1  0.050  0.450  0.262  1.0
  O  O21  1  0.950  0.950  0.238  1.0
  O  O22  1  0.550  0.050  0.738  1.0
  O  O23  1  0.450  0.550  0.762  1.0
  O  O24  1  0.451  0.051  0.236  1.0
  O  O25  1  0.549  0.551  0.264  1.0
  O  O26  1  0.951  0.449  0.764  1.0
  O  O27  1  0.049  0.949  0.736  1.0
  O  O28  1  0.232  0.305  0.627  1.0
  O  O29  1  0.768  0.805  0.873  1.0
  O  O30  1  0.732  0.195  0.373  1.0
  O  O31  1  0.268  0.695  0.127  1.0
  F  F32  1  0.264  0.204  0.870  1.0
  F  F33  1  0.736  0.704  0.630  1.0
  F  F34  1  0.764  0.296  0.130  1.0
  F  F35  1  0.236  0.796  0.370  1.0
[/CIF]
.