The material structure described by Cd2Nb2O7 crystallizes in the orthorhombic Ima2 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the second Nb site, Nb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form corner-sharing OCd4 tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and two equivalent Cd(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nb(1) and two equivalent Cd(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nb(1), one Nb(2), one Cd(1), and one Cd(2) atom. is represented by the CIF file [CIF]
data_Nb2Cd2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.410
_cell_length_b   7.410
_cell_length_c   7.410
_cell_angle_alpha   120.230
_cell_angle_beta   119.726
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   287.826
_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  0.478  0.494  0.484  1.0
  Nb  Nb1  1  0.990  1.000  0.990  1.0
  Nb  Nb2  1  0.990  0.500  0.490  1.0
  Nb  Nb3  1  0.990  0.506  0.984  1.0
  Cd  Cd4  1  0.001  0.007  0.494  1.0
  Cd  Cd5  1  0.487  0.000  0.487  1.0
  Cd  Cd6  1  0.487  0.500  0.987  1.0
  Cd  Cd7  1  0.487  0.993  0.994  1.0
  O  O8  1  0.325  0.572  0.648  1.0
  O  O9  1  0.627  0.876  0.251  1.0
  O  O10  1  0.079  0.818  0.761  1.0
  O  O11  1  0.681  0.429  0.753  1.0
  O  O12  1  0.325  0.177  0.254  1.0
  O  O13  1  0.941  0.569  0.256  1.0
  O  O14  1  0.687  0.431  0.373  1.0
  O  O15  1  0.375  0.124  0.751  1.0
  O  O16  1  0.687  0.814  0.756  1.0
  O  O17  1  0.324  0.571  0.253  1.0
  O  O18  1  0.077  0.429  0.754  1.0
  O  O19  1  0.942  0.186  0.873  1.0
  O  O20  1  0.077  0.823  0.148  1.0
  O  O21  1  0.944  0.182  0.261  1.0
[/CIF]
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The material structure described by Cd2Nb2O7 crystallizes in the orthorhombic Ima2 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the second Nb site, Nb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded to two equivalent Cd(1) and two equivalent Cd(2) atoms to form corner-sharing OCd4 tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Nb(2) and two equivalent Cd(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nb(1) and two equivalent Cd(2) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nb(1), one Nb(2), one Cd(1), and one Cd(2) atom. is represented by the CIF file [CIF]
data_Nb2Cd2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.410
_cell_length_b   7.410
_cell_length_c   7.410
_cell_angle_alpha   120.230
_cell_angle_beta   119.726
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   287.826
_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  0.478  0.494  0.484  1.0
  Nb  Nb1  1  0.990  1.000  0.990  1.0
  Nb  Nb2  1  0.990  0.500  0.490  1.0
  Nb  Nb3  1  0.990  0.506  0.984  1.0
  Cd  Cd4  1  0.001  0.007  0.494  1.0
  Cd  Cd5  1  0.487  0.000  0.487  1.0
  Cd  Cd6  1  0.487  0.500  0.987  1.0
  Cd  Cd7  1  0.487  0.993  0.994  1.0
  O  O8  1  0.325  0.572  0.648  1.0
  O  O9  1  0.627  0.876  0.251  1.0
  O  O10  1  0.079  0.818  0.761  1.0
  O  O11  1  0.681  0.429  0.753  1.0
  O  O12  1  0.325  0.177  0.254  1.0
  O  O13  1  0.941  0.569  0.256  1.0
  O  O14  1  0.687  0.431  0.373  1.0
  O  O15  1  0.375  0.124  0.751  1.0
  O  O16  1  0.687  0.814  0.756  1.0
  O  O17  1  0.324  0.571  0.253  1.0
  O  O18  1  0.077  0.429  0.754  1.0
  O  O19  1  0.942  0.186  0.873  1.0
  O  O20  1  0.077  0.823  0.148  1.0
  O  O21  1  0.944  0.182  0.261  1.0
[/CIF]
.