The material structure described by BiNbO4 crystallizes in the monoclinic C2 space group. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 17°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.197
_cell_length_b   4.197
_cell_length_c   6.055
_cell_angle_alpha   73.851
_cell_angle_beta   73.851
_cell_angle_gamma   88.962
_symmetry_Int_Tables_number   1
_cell_volume   98.228
_cell_formula_units_Z   1
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  0.053  0.947  0.000  1.0
  Bi  Bi1  1  0.708  0.292  0.500  1.0
  O  O2  1  0.997  0.487  0.049  1.0
  O  O3  1  0.135  0.165  0.652  1.0
  O  O4  1  0.835  0.865  0.348  1.0
  O  O5  1  0.513  0.003  0.951  1.0
[/CIF]
.
The material structure described by BiNbO4 crystallizes in the monoclinic C2 space group. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 17°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.197
_cell_length_b   4.197
_cell_length_c   6.055
_cell_angle_alpha   73.851
_cell_angle_beta   73.851
_cell_angle_gamma   88.962
_symmetry_Int_Tables_number   1
_cell_volume   98.228
_cell_formula_units_Z   1
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  0.053  0.947  0.000  1.0
  Bi  Bi1  1  0.708  0.292  0.500  1.0
  O  O2  1  0.997  0.487  0.049  1.0
  O  O3  1  0.135  0.165  0.652  1.0
  O  O4  1  0.835  0.865  0.348  1.0
  O  O5  1  0.513  0.003  0.951  1.0
[/CIF]
.