The structure described by Na3NdTi2Nb2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one O(6), one O(7), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(7) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. Ti(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra and corners with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. Nb(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with five equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Nd(1), and two equivalent Ti(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to three equivalent Na(1), one Ti(1), and one Nb(1) atom. In the seventh O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Na3NdTi2Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.535
_cell_length_b   5.629
_cell_length_c   15.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.636
_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
  Na  Na0  1  0.999  0.991  0.372  1.0
  Na  Na1  1  0.999  0.991  0.878  1.0
  Na  Na2  1  0.501  0.491  0.878  1.0
  Na  Na3  1  0.501  0.491  0.372  1.0
  Na  Na4  1  0.506  0.531  0.625  1.0
  Na  Na5  1  0.994  0.031  0.625  1.0
  Nd  Nd6  1  0.507  0.544  0.125  1.0
  Nd  Nd7  1  0.993  0.044  0.125  1.0
  Ti  Ti8  1  0.008  0.521  0.996  1.0
  Ti  Ti9  1  0.008  0.521  0.254  1.0
  Ti  Ti10  1  0.492  0.021  0.254  1.0
  Ti  Ti11  1  0.492  0.021  0.996  1.0
  Nb  Nb12  1  0.006  0.521  0.499  1.0
  Nb  Nb13  1  0.006  0.521  0.751  1.0
  Nb  Nb14  1  0.494  0.021  0.751  1.0
  Nb  Nb15  1  0.494  0.021  0.499  1.0
  O  O16  1  0.074  0.470  0.125  1.0
  O  O17  1  0.068  0.473  0.625  1.0
  O  O18  1  0.207  0.201  0.481  1.0
  O  O19  1  0.214  0.203  0.260  1.0
  O  O20  1  0.207  0.201  0.769  1.0
  O  O21  1  0.214  0.203  0.990  1.0
  O  O22  1  0.286  0.703  0.260  1.0
  O  O23  1  0.293  0.701  0.481  1.0
  O  O24  1  0.293  0.701  0.769  1.0
  O  O25  1  0.286  0.703  0.990  1.0
  O  O26  1  0.426  0.970  0.125  1.0
  O  O27  1  0.432  0.973  0.625  1.0
  O  O28  1  0.568  0.004  0.878  1.0
  O  O29  1  0.568  0.004  0.372  1.0
  O  O30  1  0.714  0.269  0.026  1.0
  O  O31  1  0.714  0.269  0.224  1.0
  O  O32  1  0.709  0.281  0.517  1.0
  O  O33  1  0.709  0.281  0.733  1.0
  O  O34  1  0.786  0.769  0.026  1.0
  O  O35  1  0.786  0.769  0.224  1.0
  O  O36  1  0.791  0.781  0.517  1.0
  O  O37  1  0.791  0.781  0.733  1.0
  O  O38  1  0.932  0.504  0.372  1.0
  O  O39  1  0.932  0.504  0.878  1.0
[/CIF]
.
The structure described by Na3NdTi2Nb2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one O(6), one O(7), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(7) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. Ti(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra and corners with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. Nb(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with five equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Nd(1), and two equivalent Ti(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to three equivalent Na(1), one Ti(1), and one Nb(1) atom. In the seventh O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Na3NdTi2Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.535
_cell_length_b   5.629
_cell_length_c   15.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   485.636
_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
  Na  Na0  1  0.999  0.991  0.372  1.0
  Na  Na1  1  0.999  0.991  0.878  1.0
  Na  Na2  1  0.501  0.491  0.878  1.0
  Na  Na3  1  0.501  0.491  0.372  1.0
  Na  Na4  1  0.506  0.531  0.625  1.0
  Na  Na5  1  0.994  0.031  0.625  1.0
  Nd  Nd6  1  0.507  0.544  0.125  1.0
  Nd  Nd7  1  0.993  0.044  0.125  1.0
  Ti  Ti8  1  0.008  0.521  0.996  1.0
  Ti  Ti9  1  0.008  0.521  0.254  1.0
  Ti  Ti10  1  0.492  0.021  0.254  1.0
  Ti  Ti11  1  0.492  0.021  0.996  1.0
  Nb  Nb12  1  0.006  0.521  0.499  1.0
  Nb  Nb13  1  0.006  0.521  0.751  1.0
  Nb  Nb14  1  0.494  0.021  0.751  1.0
  Nb  Nb15  1  0.494  0.021  0.499  1.0
  O  O16  1  0.074  0.470  0.125  1.0
  O  O17  1  0.068  0.473  0.625  1.0
  O  O18  1  0.207  0.201  0.481  1.0
  O  O19  1  0.214  0.203  0.260  1.0
  O  O20  1  0.207  0.201  0.769  1.0
  O  O21  1  0.214  0.203  0.990  1.0
  O  O22  1  0.286  0.703  0.260  1.0
  O  O23  1  0.293  0.701  0.481  1.0
  O  O24  1  0.293  0.701  0.769  1.0
  O  O25  1  0.286  0.703  0.990  1.0
  O  O26  1  0.426  0.970  0.125  1.0
  O  O27  1  0.432  0.973  0.625  1.0
  O  O28  1  0.568  0.004  0.878  1.0
  O  O29  1  0.568  0.004  0.372  1.0
  O  O30  1  0.714  0.269  0.026  1.0
  O  O31  1  0.714  0.269  0.224  1.0
  O  O32  1  0.709  0.281  0.517  1.0
  O  O33  1  0.709  0.281  0.733  1.0
  O  O34  1  0.786  0.769  0.026  1.0
  O  O35  1  0.786  0.769  0.224  1.0
  O  O36  1  0.791  0.781  0.517  1.0
  O  O37  1  0.791  0.781  0.733  1.0
  O  O38  1  0.932  0.504  0.372  1.0
  O  O39  1  0.932  0.504  0.878  1.0
[/CIF]
.