The material structure described by Ba2SmNb4FeO15 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(9), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(14), one O(4), two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms. Sm(1) is bonded in a 12-coordinate geometry to one O(10), one O(14), one O(15), one O(9), two equivalent O(12), two equivalent O(13), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(11) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-43°. In the second Nb site, Nb(2) is bonded to one O(1), one O(12), one O(4), one O(8), and two equivalent O(14) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-43°. In the third Nb site, Nb(3) is bonded to one O(13), one O(2), one O(3), one O(7), and two equivalent O(15) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-38°. In the fourth Nb site, Nb(4) is bonded to one O(13), one O(4), one O(6), one O(7), and two equivalent O(9) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 9-38°. Fe(1) is bonded to one O(12), one O(3), one O(5), one O(8), and two equivalent O(10) atoms to form FeO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-41°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Nb(1), and one Nb(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), one Nb(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), two equivalent Sm(1), one Nb(2), and one Nb(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Nb(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Nb(1), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Nb(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Nb(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ba(1), one Sm(1), and two equivalent Nb(4) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), one Sm(1), and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), and two equivalent Nb(1) atoms. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to two equivalent Sm(1), one Nb(2), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Sm(1), one Nb(3), and one Nb(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(2), one Sm(1), and two equivalent Nb(2) atoms. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Ba(1), one Sm(1), and two equivalent Nb(3) atoms. is represented by the CIF card [CIF]
data_Ba2SmNb4FeO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.609
_cell_length_b   4.077
_cell_length_c   12.713
_cell_angle_alpha   89.786
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.576
_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
  Ba  Ba0  1  0.091  0.356  0.321  1.0
  Ba  Ba1  1  0.427  0.356  0.672  1.0
  Ba  Ba2  1  0.573  0.356  0.172  1.0
  Ba  Ba3  1  0.909  0.356  0.821  1.0
  Sm  Sm4  1  0.738  0.374  0.522  1.0
  Sm  Sm5  1  0.262  0.374  0.022  1.0
  Nb  Nb6  1  0.250  0.871  0.496  1.0
  Nb  Nb7  1  0.750  0.871  0.996  1.0
  Nb  Nb8  1  0.464  0.870  0.922  1.0
  Nb  Nb9  1  0.041  0.867  0.077  1.0
  Nb  Nb10  1  0.959  0.867  0.577  1.0
  Nb  Nb11  1  0.536  0.870  0.422  1.0
  Nb  Nb12  1  0.178  0.864  0.789  1.0
  Nb  Nb13  1  0.822  0.864  0.289  1.0
  Fe  Fe14  1  0.327  0.843  0.213  1.0
  Fe  Fe15  1  0.673  0.843  0.713  1.0
  O  O16  1  0.589  0.822  0.011  1.0
  O  O17  1  0.908  0.818  0.991  1.0
  O  O18  1  0.092  0.818  0.491  1.0
  O  O19  1  0.411  0.822  0.511  1.0
  O  O20  1  0.179  0.816  0.142  1.0
  O  O21  1  0.320  0.804  0.853  1.0
  O  O22  1  0.680  0.804  0.353  1.0
  O  O23  1  0.821  0.816  0.642  1.0
  O  O24  1  0.246  0.828  0.345  1.0
  O  O25  1  0.255  0.817  0.656  1.0
  O  O26  1  0.745  0.817  0.156  1.0
  O  O27  1  0.754  0.828  0.845  1.0
  O  O28  1  0.968  0.830  0.219  1.0
  O  O29  1  0.528  0.843  0.782  1.0
  O  O30  1  0.472  0.843  0.282  1.0
  O  O31  1  0.032  0.830  0.719  1.0
  O  O32  1  0.826  0.322  0.300  1.0
  O  O33  1  0.675  0.334  0.689  1.0
  O  O34  1  0.325  0.334  0.189  1.0
  O  O35  1  0.174  0.322  0.800  1.0
  O  O36  1  0.252  0.328  0.501  1.0
  O  O37  1  0.748  0.328  0.001  1.0
  O  O38  1  0.368  0.837  0.054  1.0
  O  O39  1  0.123  0.809  0.939  1.0
  O  O40  1  0.877  0.809  0.439  1.0
  O  O41  1  0.632  0.837  0.554  1.0
  O  O42  1  0.554  0.335  0.429  1.0
  O  O43  1  0.949  0.329  0.575  1.0
  O  O44  1  0.051  0.329  0.075  1.0
  O  O45  1  0.446  0.335  0.929  1.0
[/CIF]
.
The material structure described by Ba2SmNb4FeO15 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Pc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(9), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(14), one O(4), two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms. Sm(1) is bonded in a 12-coordinate geometry to one O(10), one O(14), one O(15), one O(9), two equivalent O(12), two equivalent O(13), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(11) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-43°. In the second Nb site, Nb(2) is bonded to one O(1), one O(12), one O(4), one O(8), and two equivalent O(14) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-43°. In the third Nb site, Nb(3) is bonded to one O(13), one O(2), one O(3), one O(7), and two equivalent O(15) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-38°. In the fourth Nb site, Nb(4) is bonded to one O(13), one O(4), one O(6), one O(7), and two equivalent O(9) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 9-38°. Fe(1) is bonded to one O(12), one O(3), one O(5), one O(8), and two equivalent O(10) atoms to form FeO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-41°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Nb(1), and one Nb(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), one Nb(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), two equivalent Sm(1), one Nb(2), and one Nb(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Nb(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Nb(1), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Nb(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Nb(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ba(1), one Sm(1), and two equivalent Nb(4) atoms. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ba(1), one Ba(2), one Sm(1), and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), and two equivalent Nb(1) atoms. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to two equivalent Sm(1), one Nb(2), and one Fe(1) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Sm(1), one Nb(3), and one Nb(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ba(2), one Sm(1), and two equivalent Nb(2) atoms. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Ba(1), one Sm(1), and two equivalent Nb(3) atoms. is represented by the CIF card [CIF]
data_Ba2SmNb4FeO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.609
_cell_length_b   4.077
_cell_length_c   12.713
_cell_angle_alpha   89.786
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   653.576
_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
  Ba  Ba0  1  0.091  0.356  0.321  1.0
  Ba  Ba1  1  0.427  0.356  0.672  1.0
  Ba  Ba2  1  0.573  0.356  0.172  1.0
  Ba  Ba3  1  0.909  0.356  0.821  1.0
  Sm  Sm4  1  0.738  0.374  0.522  1.0
  Sm  Sm5  1  0.262  0.374  0.022  1.0
  Nb  Nb6  1  0.250  0.871  0.496  1.0
  Nb  Nb7  1  0.750  0.871  0.996  1.0
  Nb  Nb8  1  0.464  0.870  0.922  1.0
  Nb  Nb9  1  0.041  0.867  0.077  1.0
  Nb  Nb10  1  0.959  0.867  0.577  1.0
  Nb  Nb11  1  0.536  0.870  0.422  1.0
  Nb  Nb12  1  0.178  0.864  0.789  1.0
  Nb  Nb13  1  0.822  0.864  0.289  1.0
  Fe  Fe14  1  0.327  0.843  0.213  1.0
  Fe  Fe15  1  0.673  0.843  0.713  1.0
  O  O16  1  0.589  0.822  0.011  1.0
  O  O17  1  0.908  0.818  0.991  1.0
  O  O18  1  0.092  0.818  0.491  1.0
  O  O19  1  0.411  0.822  0.511  1.0
  O  O20  1  0.179  0.816  0.142  1.0
  O  O21  1  0.320  0.804  0.853  1.0
  O  O22  1  0.680  0.804  0.353  1.0
  O  O23  1  0.821  0.816  0.642  1.0
  O  O24  1  0.246  0.828  0.345  1.0
  O  O25  1  0.255  0.817  0.656  1.0
  O  O26  1  0.745  0.817  0.156  1.0
  O  O27  1  0.754  0.828  0.845  1.0
  O  O28  1  0.968  0.830  0.219  1.0
  O  O29  1  0.528  0.843  0.782  1.0
  O  O30  1  0.472  0.843  0.282  1.0
  O  O31  1  0.032  0.830  0.719  1.0
  O  O32  1  0.826  0.322  0.300  1.0
  O  O33  1  0.675  0.334  0.689  1.0
  O  O34  1  0.325  0.334  0.189  1.0
  O  O35  1  0.174  0.322  0.800  1.0
  O  O36  1  0.252  0.328  0.501  1.0
  O  O37  1  0.748  0.328  0.001  1.0
  O  O38  1  0.368  0.837  0.054  1.0
  O  O39  1  0.123  0.809  0.939  1.0
  O  O40  1  0.877  0.809  0.439  1.0
  O  O41  1  0.632  0.837  0.554  1.0
  O  O42  1  0.554  0.335  0.429  1.0
  O  O43  1  0.949  0.329  0.575  1.0
  O  O44  1  0.051  0.329  0.075  1.0
  O  O45  1  0.446  0.335  0.929  1.0
[/CIF]
.