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.
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. The Ba(1)-O(10) bond length is 3.39 Å. The Ba(1)-O(11) bond length is 3.05 Å. The Ba(1)-O(15) bond length is 3.17 Å. The Ba(1)-O(9) bond length is 3.35 Å. There is one shorter (2.87 Å) and one longer (3.07 Å) Ba(1)-O(2) bond length. There is one shorter (3.15 Å) and one longer (3.36 Å) Ba(1)-O(3) bond length. There is one shorter (2.76 Å) and one longer (2.92 Å) Ba(1)-O(5) bond length. There is one shorter (2.79 Å) and one longer (2.95 Å) Ba(1)-O(7) bond length. 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. The Ba(2)-O(10) bond length is 3.14 Å. The Ba(2)-O(11) bond length is 3.10 Å. The Ba(2)-O(14) bond length is 3.27 Å. The Ba(2)-O(4) bond length is 3.24 Å. There is one shorter (2.80 Å) and one longer (3.00 Å) Ba(2)-O(1) bond length. There is one shorter (2.88 Å) and one longer (3.10 Å) Ba(2)-O(6) bond length. There is one shorter (2.74 Å) and one longer (2.81 Å) Ba(2)-O(8) bond length. 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. The Sm(1)-O(10) bond length is 2.27 Å. The Sm(1)-O(14) bond length is 2.61 Å. The Sm(1)-O(15) bond length is 2.74 Å. The Sm(1)-O(9) bond length is 3.04 Å. There is one shorter (2.35 Å) and one longer (2.60 Å) Sm(1)-O(12) bond length. There is one shorter (2.71 Å) and one longer (3.08 Å) Sm(1)-O(13) bond length. There is one shorter (2.59 Å) and one longer (2.93 Å) Sm(1)-O(3) bond length. There is one shorter (2.86 Å) and one longer (3.25 Å) Sm(1)-O(4) bond length. 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°. The Nb(1)-O(1) bond length is 2.05 Å. The Nb(1)-O(2) bond length is 2.00 Å. The Nb(1)-O(5) bond length is 1.93 Å. The Nb(1)-O(6) bond length is 2.04 Å. There is one shorter (1.86 Å) and one longer (2.22 Å) Nb(1)-O(11) bond length. 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°. The Nb(2)-O(1) bond length is 1.95 Å. The Nb(2)-O(12) bond length is 2.07 Å. The Nb(2)-O(4) bond length is 2.03 Å. The Nb(2)-O(8) bond length is 1.96 Å. There is one shorter (1.91 Å) and one longer (2.20 Å) Nb(2)-O(14) bond length. 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°. The Nb(3)-O(13) bond length is 2.04 Å. The Nb(3)-O(2) bond length is 2.00 Å. The Nb(3)-O(3) bond length is 1.94 Å. The Nb(3)-O(7) bond length is 2.03 Å. There is one shorter (1.89 Å) and one longer (2.20 Å) Nb(3)-O(15) bond length. 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°. The Nb(4)-O(13) bond length is 2.05 Å. The Nb(4)-O(4) bond length is 1.98 Å. The Nb(4)-O(6) bond length is 1.96 Å. The Nb(4)-O(7) bond length is 2.06 Å. There is one shorter (1.87 Å) and one longer (2.21 Å) Nb(4)-O(9) bond length. 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°. The Fe(1)-O(12) bond length is 2.10 Å. The Fe(1)-O(3) bond length is 2.08 Å. The Fe(1)-O(5) bond length is 1.97 Å. The Fe(1)-O(8) bond length is 2.03 Å. There is one shorter (2.03 Å) and one longer (2.10 Å) Fe(1)-O(10) bond length. 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.