The material described by Na3SmTi2Nb2O12 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. Sm(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 25-29°. 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 21-29°. 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 to two equivalent Sm(1) and two equivalent Ti(1) atoms to form distorted corner-sharing OSm2Ti2 tetrahedra. 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 Sm(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 Sm(1), and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Na3SmTi2Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.610
_cell_length_c   15.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.632
_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  0.985  0.372  1.0
  Na  Na1  1  0.999  0.985  0.878  1.0
  Na  Na2  1  0.501  0.485  0.878  1.0
  Na  Na3  1  0.501  0.485  0.372  1.0
  Na  Na4  1  0.505  0.530  0.625  1.0
  Na  Na5  1  0.995  0.030  0.625  1.0
  Sm  Sm6  1  0.510  0.550  0.125  1.0
  Sm  Sm7  1  0.990  0.050  0.125  1.0
  Ti  Ti8  1  0.490  0.020  0.253  1.0
  Ti  Ti9  1  0.490  0.020  0.997  1.0
  Ti  Ti10  1  0.010  0.520  0.253  1.0
  Ti  Ti11  1  0.010  0.520  0.997  1.0
  Nb  Nb12  1  0.496  0.019  0.752  1.0
  Nb  Nb13  1  0.496  0.019  0.498  1.0
  Nb  Nb14  1  0.004  0.519  0.498  1.0
  Nb  Nb15  1  0.004  0.519  0.752  1.0
  O  O16  1  0.082  0.468  0.125  1.0
  O  O17  1  0.068  0.478  0.625  1.0
  O  O18  1  0.207  0.203  0.480  1.0
  O  O19  1  0.207  0.197  0.260  1.0
  O  O20  1  0.207  0.203  0.770  1.0
  O  O21  1  0.207  0.197  0.990  1.0
  O  O22  1  0.293  0.697  0.260  1.0
  O  O23  1  0.293  0.703  0.480  1.0
  O  O24  1  0.293  0.703  0.770  1.0
  O  O25  1  0.293  0.697  0.990  1.0
  O  O26  1  0.418  0.968  0.125  1.0
  O  O27  1  0.432  0.978  0.625  1.0
  O  O28  1  0.568  0.008  0.879  1.0
  O  O29  1  0.568  0.008  0.371  1.0
  O  O30  1  0.710  0.272  0.028  1.0
  O  O31  1  0.710  0.272  0.222  1.0
  O  O32  1  0.708  0.284  0.734  1.0
  O  O33  1  0.708  0.284  0.516  1.0
  O  O34  1  0.790  0.772  0.028  1.0
  O  O35  1  0.790  0.772  0.222  1.0
  O  O36  1  0.792  0.784  0.516  1.0
  O  O37  1  0.792  0.784  0.734  1.0
  O  O38  1  0.932  0.508  0.371  1.0
  O  O39  1  0.932  0.508  0.879  1.0
[/CIF]
.
The material described by Na3SmTi2Nb2O12 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. Sm(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 25-29°. 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 21-29°. 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 to two equivalent Sm(1) and two equivalent Ti(1) atoms to form distorted corner-sharing OSm2Ti2 tetrahedra. 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 Sm(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 Sm(1), and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_Na3SmTi2Nb2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.610
_cell_length_c   15.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.632
_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  0.985  0.372  1.0
  Na  Na1  1  0.999  0.985  0.878  1.0
  Na  Na2  1  0.501  0.485  0.878  1.0
  Na  Na3  1  0.501  0.485  0.372  1.0
  Na  Na4  1  0.505  0.530  0.625  1.0
  Na  Na5  1  0.995  0.030  0.625  1.0
  Sm  Sm6  1  0.510  0.550  0.125  1.0
  Sm  Sm7  1  0.990  0.050  0.125  1.0
  Ti  Ti8  1  0.490  0.020  0.253  1.0
  Ti  Ti9  1  0.490  0.020  0.997  1.0
  Ti  Ti10  1  0.010  0.520  0.253  1.0
  Ti  Ti11  1  0.010  0.520  0.997  1.0
  Nb  Nb12  1  0.496  0.019  0.752  1.0
  Nb  Nb13  1  0.496  0.019  0.498  1.0
  Nb  Nb14  1  0.004  0.519  0.498  1.0
  Nb  Nb15  1  0.004  0.519  0.752  1.0
  O  O16  1  0.082  0.468  0.125  1.0
  O  O17  1  0.068  0.478  0.625  1.0
  O  O18  1  0.207  0.203  0.480  1.0
  O  O19  1  0.207  0.197  0.260  1.0
  O  O20  1  0.207  0.203  0.770  1.0
  O  O21  1  0.207  0.197  0.990  1.0
  O  O22  1  0.293  0.697  0.260  1.0
  O  O23  1  0.293  0.703  0.480  1.0
  O  O24  1  0.293  0.703  0.770  1.0
  O  O25  1  0.293  0.697  0.990  1.0
  O  O26  1  0.418  0.968  0.125  1.0
  O  O27  1  0.432  0.978  0.625  1.0
  O  O28  1  0.568  0.008  0.879  1.0
  O  O29  1  0.568  0.008  0.371  1.0
  O  O30  1  0.710  0.272  0.028  1.0
  O  O31  1  0.710  0.272  0.222  1.0
  O  O32  1  0.708  0.284  0.734  1.0
  O  O33  1  0.708  0.284  0.516  1.0
  O  O34  1  0.790  0.772  0.028  1.0
  O  O35  1  0.790  0.772  0.222  1.0
  O  O36  1  0.792  0.784  0.516  1.0
  O  O37  1  0.792  0.784  0.734  1.0
  O  O38  1  0.932  0.508  0.371  1.0
  O  O39  1  0.932  0.508  0.879  1.0
[/CIF]
.