The material described by FeNb2O6 crystallizes in the orthorhombic Pbcn space group. Nb(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted NbO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 pentagonal pyramids, corners with four equivalent Nb(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted FeO6 pentagonal pyramids that share corners with four equivalent Nb(1)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 pentagonal pyramids, and edges with two equivalent Nb(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.898
_cell_length_c   15.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.912
_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  0.436  0.181  0.338  1.0
  Nb  Nb1  1  0.064  0.681  0.838  1.0
  Nb  Nb2  1  0.564  0.319  0.838  1.0
  Nb  Nb3  1  0.936  0.819  0.338  1.0
  Nb  Nb4  1  0.564  0.819  0.662  1.0
  Nb  Nb5  1  0.064  0.181  0.662  1.0
  Nb  Nb6  1  0.436  0.681  0.162  1.0
  Nb  Nb7  1  0.936  0.319  0.162  1.0
  Fe  Fe8  1  0.250  0.160  0.000  1.0
  Fe  Fe9  1  0.750  0.340  0.500  1.0
  Fe  Fe10  1  0.750  0.840  0.000  1.0
  Fe  Fe11  1  0.250  0.660  0.500  1.0
  O  O12  1  0.276  0.933  0.394  1.0
  O  O13  1  0.552  0.597  0.577  1.0
  O  O14  1  0.552  0.097  0.923  1.0
  O  O15  1  0.948  0.097  0.077  1.0
  O  O16  1  0.676  0.705  0.267  1.0
  O  O17  1  0.448  0.903  0.077  1.0
  O  O18  1  0.724  0.067  0.606  1.0
  O  O19  1  0.824  0.205  0.767  1.0
  O  O20  1  0.824  0.705  0.733  1.0
  O  O21  1  0.948  0.597  0.423  1.0
  O  O22  1  0.224  0.933  0.606  1.0
  O  O23  1  0.276  0.433  0.106  1.0
  O  O24  1  0.676  0.205  0.233  1.0
  O  O25  1  0.776  0.067  0.394  1.0
  O  O26  1  0.724  0.567  0.894  1.0
  O  O27  1  0.052  0.403  0.577  1.0
  O  O28  1  0.776  0.567  0.106  1.0
  O  O29  1  0.324  0.795  0.767  1.0
  O  O30  1  0.324  0.295  0.733  1.0
  O  O31  1  0.052  0.903  0.923  1.0
  O  O32  1  0.448  0.403  0.423  1.0
  O  O33  1  0.176  0.295  0.267  1.0
  O  O34  1  0.176  0.795  0.233  1.0
  O  O35  1  0.224  0.433  0.894  1.0
[/CIF]
.
The material described by FeNb2O6 crystallizes in the orthorhombic Pbcn space group. Nb(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted NbO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 pentagonal pyramids, corners with four equivalent Nb(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O6 pentagonal pyramid. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted FeO6 pentagonal pyramids that share corners with four equivalent Nb(1)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 pentagonal pyramids, and edges with two equivalent Nb(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.898
_cell_length_c   15.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   492.912
_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  0.436  0.181  0.338  1.0
  Nb  Nb1  1  0.064  0.681  0.838  1.0
  Nb  Nb2  1  0.564  0.319  0.838  1.0
  Nb  Nb3  1  0.936  0.819  0.338  1.0
  Nb  Nb4  1  0.564  0.819  0.662  1.0
  Nb  Nb5  1  0.064  0.181  0.662  1.0
  Nb  Nb6  1  0.436  0.681  0.162  1.0
  Nb  Nb7  1  0.936  0.319  0.162  1.0
  Fe  Fe8  1  0.250  0.160  0.000  1.0
  Fe  Fe9  1  0.750  0.340  0.500  1.0
  Fe  Fe10  1  0.750  0.840  0.000  1.0
  Fe  Fe11  1  0.250  0.660  0.500  1.0
  O  O12  1  0.276  0.933  0.394  1.0
  O  O13  1  0.552  0.597  0.577  1.0
  O  O14  1  0.552  0.097  0.923  1.0
  O  O15  1  0.948  0.097  0.077  1.0
  O  O16  1  0.676  0.705  0.267  1.0
  O  O17  1  0.448  0.903  0.077  1.0
  O  O18  1  0.724  0.067  0.606  1.0
  O  O19  1  0.824  0.205  0.767  1.0
  O  O20  1  0.824  0.705  0.733  1.0
  O  O21  1  0.948  0.597  0.423  1.0
  O  O22  1  0.224  0.933  0.606  1.0
  O  O23  1  0.276  0.433  0.106  1.0
  O  O24  1  0.676  0.205  0.233  1.0
  O  O25  1  0.776  0.067  0.394  1.0
  O  O26  1  0.724  0.567  0.894  1.0
  O  O27  1  0.052  0.403  0.577  1.0
  O  O28  1  0.776  0.567  0.106  1.0
  O  O29  1  0.324  0.795  0.767  1.0
  O  O30  1  0.324  0.295  0.733  1.0
  O  O31  1  0.052  0.903  0.923  1.0
  O  O32  1  0.448  0.403  0.423  1.0
  O  O33  1  0.176  0.295  0.267  1.0
  O  O34  1  0.176  0.795  0.233  1.0
  O  O35  1  0.224  0.433  0.894  1.0
[/CIF]
.