The compound described by Nb2SbO6 crystallizes in the monoclinic C2/c space group. Nb(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. Sb(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Nb2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.949
_cell_length_b   8.949
_cell_length_c   5.629
_cell_angle_alpha   88.825
_cell_angle_beta   88.825
_cell_angle_gamma   32.728
_symmetry_Int_Tables_number   1
_cell_volume   243.649
_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  0.918  0.428  0.829  1.0
  Nb  Nb1  1  0.428  0.918  0.329  1.0
  Nb  Nb2  1  0.572  0.082  0.671  1.0
  Nb  Nb3  1  0.082  0.572  0.171  1.0
  Sb  Sb4  1  0.193  0.807  0.750  1.0
  Sb  Sb5  1  0.807  0.193  0.250  1.0
  O  O6  1  0.845  0.716  0.849  1.0
  O  O7  1  0.716  0.845  0.349  1.0
  O  O8  1  0.681  0.596  0.571  1.0
  O  O9  1  0.596  0.681  0.071  1.0
  O  O10  1  0.986  0.147  0.919  1.0
  O  O11  1  0.147  0.986  0.419  1.0
  O  O12  1  0.853  0.014  0.581  1.0
  O  O13  1  0.014  0.853  0.081  1.0
  O  O14  1  0.404  0.319  0.929  1.0
  O  O15  1  0.319  0.404  0.429  1.0
  O  O16  1  0.284  0.155  0.651  1.0
  O  O17  1  0.155  0.284  0.151  1.0
[/CIF]
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The compound described by Nb2SbO6 crystallizes in the monoclinic C2/c space group. Nb(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. Sb(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Nb2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.949
_cell_length_b   8.949
_cell_length_c   5.629
_cell_angle_alpha   88.825
_cell_angle_beta   88.825
_cell_angle_gamma   32.728
_symmetry_Int_Tables_number   1
_cell_volume   243.649
_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  0.918  0.428  0.829  1.0
  Nb  Nb1  1  0.428  0.918  0.329  1.0
  Nb  Nb2  1  0.572  0.082  0.671  1.0
  Nb  Nb3  1  0.082  0.572  0.171  1.0
  Sb  Sb4  1  0.193  0.807  0.750  1.0
  Sb  Sb5  1  0.807  0.193  0.250  1.0
  O  O6  1  0.845  0.716  0.849  1.0
  O  O7  1  0.716  0.845  0.349  1.0
  O  O8  1  0.681  0.596  0.571  1.0
  O  O9  1  0.596  0.681  0.071  1.0
  O  O10  1  0.986  0.147  0.919  1.0
  O  O11  1  0.147  0.986  0.419  1.0
  O  O12  1  0.853  0.014  0.581  1.0
  O  O13  1  0.014  0.853  0.081  1.0
  O  O14  1  0.404  0.319  0.929  1.0
  O  O15  1  0.319  0.404  0.429  1.0
  O  O16  1  0.284  0.155  0.651  1.0
  O  O17  1  0.155  0.284  0.151  1.0
[/CIF]
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