The compound described by Pb2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure consists of one NbO3 framework and one Pb2O framework. In the NbO3 framework, Nb(1) is bonded to six equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 38°. O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. In the Pb2O framework, Pb(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. O(1) is bonded to four equivalent Pb(1) atoms to form corner-sharing OPb4 tetrahedra. is represented by the CIF card [CIF]
data_Nb2Pb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.684
_cell_length_b   7.684
_cell_length_c   7.684
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   320.867
_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  0.125  0.625  0.125  1.0
  Nb  Nb1  1  0.125  0.125  0.625  1.0
  Nb  Nb2  1  0.625  0.125  0.125  1.0
  Nb  Nb3  1  0.125  0.125  0.125  1.0
  Pb  Pb4  1  0.625  0.625  0.625  1.0
  Pb  Pb5  1  0.125  0.625  0.625  1.0
  Pb  Pb6  1  0.625  0.125  0.625  1.0
  Pb  Pb7  1  0.625  0.625  0.125  1.0
  O  O8  1  0.750  0.750  0.750  1.0
  O  O9  1  0.186  0.814  0.814  1.0
  O  O10  1  0.186  0.814  0.186  1.0
  O  O11  1  0.814  0.814  0.186  1.0
  O  O12  1  0.814  0.186  0.814  1.0
  O  O13  1  0.186  0.186  0.814  1.0
  O  O14  1  0.436  0.064  0.064  1.0
  O  O15  1  0.814  0.186  0.186  1.0
  O  O16  1  0.064  0.436  0.064  1.0
  O  O17  1  0.064  0.064  0.436  1.0
  O  O18  1  0.436  0.436  0.064  1.0
  O  O19  1  0.436  0.064  0.436  1.0
  O  O20  1  0.064  0.436  0.436  1.0
  O  O21  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Pb2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure consists of one NbO3 framework and one Pb2O framework. In the NbO3 framework, Nb(1) is bonded to six equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 38°. O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. In the Pb2O framework, Pb(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. O(1) is bonded to four equivalent Pb(1) atoms to form corner-sharing OPb4 tetrahedra. is represented by the CIF card [CIF]
data_Nb2Pb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.684
_cell_length_b   7.684
_cell_length_c   7.684
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   320.867
_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  0.125  0.625  0.125  1.0
  Nb  Nb1  1  0.125  0.125  0.625  1.0
  Nb  Nb2  1  0.625  0.125  0.125  1.0
  Nb  Nb3  1  0.125  0.125  0.125  1.0
  Pb  Pb4  1  0.625  0.625  0.625  1.0
  Pb  Pb5  1  0.125  0.625  0.625  1.0
  Pb  Pb6  1  0.625  0.125  0.625  1.0
  Pb  Pb7  1  0.625  0.625  0.125  1.0
  O  O8  1  0.750  0.750  0.750  1.0
  O  O9  1  0.186  0.814  0.814  1.0
  O  O10  1  0.186  0.814  0.186  1.0
  O  O11  1  0.814  0.814  0.186  1.0
  O  O12  1  0.814  0.186  0.814  1.0
  O  O13  1  0.186  0.186  0.814  1.0
  O  O14  1  0.436  0.064  0.064  1.0
  O  O15  1  0.814  0.186  0.186  1.0
  O  O16  1  0.064  0.436  0.064  1.0
  O  O17  1  0.064  0.064  0.436  1.0
  O  O18  1  0.436  0.436  0.064  1.0
  O  O19  1  0.436  0.064  0.436  1.0
  O  O20  1  0.064  0.436  0.436  1.0
  O  O21  1  0.500  0.500  0.500  1.0
[/CIF]
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