The crystal structure described by SbNbO4 crystallizes in the orthorhombic Pna2_1 space group. Nb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Sb(1)O5 square pyramids, and  an edgeedge with one Sb(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 29-53°. Sb(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted SbO5 square pyramids that share corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Sb(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 43-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   5.579
_cell_length_c   11.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.266
_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  0.514  0.607  0.498  1.0
  Nb  Nb1  1  0.486  0.393  0.998  1.0
  Nb  Nb2  1  0.986  0.107  0.498  1.0
  Nb  Nb3  1  0.014  0.893  0.998  1.0
  Sb  Sb4  1  0.452  0.960  0.745  1.0
  Sb  Sb5  1  0.548  0.040  0.245  1.0
  Sb  Sb6  1  0.048  0.460  0.745  1.0
  Sb  Sb7  1  0.952  0.540  0.245  1.0
  O  O8  1  0.212  0.855  0.458  1.0
  O  O9  1  0.788  0.145  0.958  1.0
  O  O10  1  0.288  0.355  0.458  1.0
  O  O11  1  0.712  0.645  0.958  1.0
  O  O12  1  0.334  0.646  0.661  1.0
  O  O13  1  0.666  0.354  0.161  1.0
  O  O14  1  0.166  0.146  0.661  1.0
  O  O15  1  0.834  0.854  0.161  1.0
  O  O16  1  0.167  0.819  0.850  1.0
  O  O17  1  0.833  0.181  0.350  1.0
  O  O18  1  0.333  0.319  0.850  1.0
  O  O19  1  0.667  0.681  0.350  1.0
  O  O20  1  0.194  0.571  0.062  1.0
  O  O21  1  0.806  0.429  0.562  1.0
  O  O22  1  0.306  0.071  0.062  1.0
  O  O23  1  0.694  0.929  0.562  1.0
[/CIF]
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The crystal structure described by SbNbO4 crystallizes in the orthorhombic Pna2_1 space group. Nb(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Sb(1)O5 square pyramids, and  an edgeedge with one Sb(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 29-53°. Sb(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted SbO5 square pyramids that share corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Sb(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 43-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   5.579
_cell_length_c   11.903
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   329.266
_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  0.514  0.607  0.498  1.0
  Nb  Nb1  1  0.486  0.393  0.998  1.0
  Nb  Nb2  1  0.986  0.107  0.498  1.0
  Nb  Nb3  1  0.014  0.893  0.998  1.0
  Sb  Sb4  1  0.452  0.960  0.745  1.0
  Sb  Sb5  1  0.548  0.040  0.245  1.0
  Sb  Sb6  1  0.048  0.460  0.745  1.0
  Sb  Sb7  1  0.952  0.540  0.245  1.0
  O  O8  1  0.212  0.855  0.458  1.0
  O  O9  1  0.788  0.145  0.958  1.0
  O  O10  1  0.288  0.355  0.458  1.0
  O  O11  1  0.712  0.645  0.958  1.0
  O  O12  1  0.334  0.646  0.661  1.0
  O  O13  1  0.666  0.354  0.161  1.0
  O  O14  1  0.166  0.146  0.661  1.0
  O  O15  1  0.834  0.854  0.161  1.0
  O  O16  1  0.167  0.819  0.850  1.0
  O  O17  1  0.833  0.181  0.350  1.0
  O  O18  1  0.333  0.319  0.850  1.0
  O  O19  1  0.667  0.681  0.350  1.0
  O  O20  1  0.194  0.571  0.062  1.0
  O  O21  1  0.806  0.429  0.562  1.0
  O  O22  1  0.306  0.071  0.062  1.0
  O  O23  1  0.694  0.929  0.562  1.0
[/CIF]
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