The material structure described by Sn2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure consists of one NbO3 framework and one Sn2O framework. In the NbO3 framework, Nb(1) is bonded to six equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. In the Sn2O framework, Sn(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. O(2) is bonded to four equivalent Sn(1) atoms to form corner-sharing OSn4 tetrahedra. is represented by the CIF file [CIF]
data_Nb2Sn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   7.609
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.493
_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  0.625  0.625  0.625  1.0
  Nb  Nb1  1  0.125  0.625  0.625  1.0
  Nb  Nb2  1  0.625  0.625  0.125  1.0
  Nb  Nb3  1  0.625  0.125  0.625  1.0
  Sn  Sn4  1  0.125  0.125  0.625  1.0
  Sn  Sn5  1  0.125  0.125  0.125  1.0
  Sn  Sn6  1  0.625  0.125  0.125  1.0
  Sn  Sn7  1  0.125  0.625  0.125  1.0
  O  O8  1  0.561  0.939  0.561  1.0
  O  O9  1  0.561  0.561  0.939  1.0
  O  O10  1  0.311  0.689  0.311  1.0
  O  O11  1  0.561  0.939  0.939  1.0
  O  O12  1  0.689  0.311  0.689  1.0
  O  O13  1  0.939  0.561  0.561  1.0
  O  O14  1  0.689  0.689  0.311  1.0
  O  O15  1  0.689  0.311  0.311  1.0
  O  O16  1  0.250  0.250  0.250  1.0
  O  O17  1  0.311  0.689  0.689  1.0
  O  O18  1  0.939  0.939  0.561  1.0
  O  O19  1  0.311  0.311  0.689  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.939  0.561  0.939  1.0
[/CIF]
.
The material structure described by Sn2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure consists of one NbO3 framework and one Sn2O framework. In the NbO3 framework, Nb(1) is bonded to six equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. In the Sn2O framework, Sn(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. O(2) is bonded to four equivalent Sn(1) atoms to form corner-sharing OSn4 tetrahedra. is represented by the CIF file [CIF]
data_Nb2Sn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   7.609
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   311.493
_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  0.625  0.625  0.625  1.0
  Nb  Nb1  1  0.125  0.625  0.625  1.0
  Nb  Nb2  1  0.625  0.625  0.125  1.0
  Nb  Nb3  1  0.625  0.125  0.625  1.0
  Sn  Sn4  1  0.125  0.125  0.625  1.0
  Sn  Sn5  1  0.125  0.125  0.125  1.0
  Sn  Sn6  1  0.625  0.125  0.125  1.0
  Sn  Sn7  1  0.125  0.625  0.125  1.0
  O  O8  1  0.561  0.939  0.561  1.0
  O  O9  1  0.561  0.561  0.939  1.0
  O  O10  1  0.311  0.689  0.311  1.0
  O  O11  1  0.561  0.939  0.939  1.0
  O  O12  1  0.689  0.311  0.689  1.0
  O  O13  1  0.939  0.561  0.561  1.0
  O  O14  1  0.689  0.689  0.311  1.0
  O  O15  1  0.689  0.311  0.311  1.0
  O  O16  1  0.250  0.250  0.250  1.0
  O  O17  1  0.311  0.689  0.689  1.0
  O  O18  1  0.939  0.939  0.561  1.0
  O  O19  1  0.311  0.311  0.689  1.0
  O  O20  1  0.000  0.000  0.000  1.0
  O  O21  1  0.939  0.561  0.939  1.0
[/CIF]
.