The crystal structure described by FeNbO4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nb(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing ONbFe3 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_NbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.864
_cell_length_b   6.587
_cell_length_c   6.712
_cell_angle_alpha   106.690
_cell_angle_beta   90.000
_cell_angle_gamma   107.050
_symmetry_Int_Tables_number   1
_cell_volume   155.780
_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  0.102  0.208  0.230  1.0
  Nb  Nb1  1  0.894  0.792  0.770  1.0
  Fe  Fe2  1  0.195  0.394  0.812  1.0
  Fe  Fe3  1  0.801  0.606  0.188  1.0
  O  O4  1  0.254  0.512  0.146  1.0
  O  O5  1  0.742  0.488  0.854  1.0
  O  O6  1  0.362  0.729  0.798  1.0
  O  O7  1  0.634  0.271  0.202  1.0
  O  O8  1  0.052  0.109  0.866  1.0
  O  O9  1  0.943  0.891  0.134  1.0
  O  O10  1  0.137  0.275  0.515  1.0
  O  O11  1  0.861  0.725  0.485  1.0
[/CIF]
.
The crystal structure described by FeNbO4 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nb(1) and three equivalent Fe(1) atoms to form a mixture of corner and edge-sharing ONbFe3 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Nb(1) and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(1) and one Fe(1) atom. is represented by the CIF file [CIF]
data_NbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.864
_cell_length_b   6.587
_cell_length_c   6.712
_cell_angle_alpha   106.690
_cell_angle_beta   90.000
_cell_angle_gamma   107.050
_symmetry_Int_Tables_number   1
_cell_volume   155.780
_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  0.102  0.208  0.230  1.0
  Nb  Nb1  1  0.894  0.792  0.770  1.0
  Fe  Fe2  1  0.195  0.394  0.812  1.0
  Fe  Fe3  1  0.801  0.606  0.188  1.0
  O  O4  1  0.254  0.512  0.146  1.0
  O  O5  1  0.742  0.488  0.854  1.0
  O  O6  1  0.362  0.729  0.798  1.0
  O  O7  1  0.634  0.271  0.202  1.0
  O  O8  1  0.052  0.109  0.866  1.0
  O  O9  1  0.943  0.891  0.134  1.0
  O  O10  1  0.137  0.275  0.515  1.0
  O  O11  1  0.861  0.725  0.485  1.0
[/CIF]
.