The crystal structure described by SnNb2O6 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 distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. Sn(1) is bonded in a distorted 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 distorted trigonal planar geometry to one Nb(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   5.629
_cell_length_c   8.972
_cell_angle_alpha   91.402
_cell_angle_beta   105.946
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.299
_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  0.410  0.174  0.339  1.0
  Nb  Nb1  1  0.071  0.326  0.661  1.0
  Nb  Nb2  1  0.590  0.826  0.661  1.0
  Nb  Nb3  1  0.929  0.674  0.339  1.0
  Sn  Sn4  1  0.774  0.250  0.000  1.0
  Sn  Sn5  1  0.226  0.750  0.000  1.0
  O  O6  1  0.719  0.148  0.561  1.0
  O  O7  1  0.158  0.352  0.439  1.0
  O  O8  1  0.281  0.852  0.439  1.0
  O  O9  1  0.842  0.648  0.561  1.0
  O  O10  1  0.603  0.428  0.285  1.0
  O  O11  1  0.318  0.072  0.715  1.0
  O  O12  1  0.993  0.591  0.144  1.0
  O  O13  1  0.849  0.909  0.856  1.0
  O  O14  1  0.007  0.409  0.856  1.0
  O  O15  1  0.151  0.091  0.144  1.0
  O  O16  1  0.682  0.928  0.285  1.0
  O  O17  1  0.397  0.572  0.715  1.0
[/CIF]
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The crystal structure described by SnNb2O6 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 distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. Sn(1) is bonded in a distorted 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 distorted trigonal planar geometry to one Nb(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2SnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   5.629
_cell_length_c   8.972
_cell_angle_alpha   91.402
_cell_angle_beta   105.946
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.299
_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  0.410  0.174  0.339  1.0
  Nb  Nb1  1  0.071  0.326  0.661  1.0
  Nb  Nb2  1  0.590  0.826  0.661  1.0
  Nb  Nb3  1  0.929  0.674  0.339  1.0
  Sn  Sn4  1  0.774  0.250  0.000  1.0
  Sn  Sn5  1  0.226  0.750  0.000  1.0
  O  O6  1  0.719  0.148  0.561  1.0
  O  O7  1  0.158  0.352  0.439  1.0
  O  O8  1  0.281  0.852  0.439  1.0
  O  O9  1  0.842  0.648  0.561  1.0
  O  O10  1  0.603  0.428  0.285  1.0
  O  O11  1  0.318  0.072  0.715  1.0
  O  O12  1  0.993  0.591  0.144  1.0
  O  O13  1  0.849  0.909  0.856  1.0
  O  O14  1  0.007  0.409  0.856  1.0
  O  O15  1  0.151  0.091  0.144  1.0
  O  O16  1  0.682  0.928  0.285  1.0
  O  O17  1  0.397  0.572  0.715  1.0
[/CIF]
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