BaSm2Ti3O10 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 7-coordinate geometry to one O(4) and six equivalent O(6) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(7), and four equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sm(1), one Ti(1), and one Ti(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ti(2) atom. In the third O site, O(7) is bonded to one Sm(1), one Sm(2), and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OSm2Ti2 trigonal pyramids. In the fourth O site, O(1) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Ti(1) atoms. In the fifth O site, O(2) is bonded to two equivalent Sm(2) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSm2Ti2 tetrahedra. In the sixth O site, O(3) is bonded to two equivalent Sm(2) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OSm2Ti2 tetrahedra. In the seventh O site, O(4) is bonded in a distorted linear geometry to one Ba(1), two equivalent Sm(1), and two equivalent Ti(2) atoms.
BaSm2Ti3O10 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 7-coordinate geometry to one O(4) and six equivalent O(6) atoms. The Ba(1)-O(4) bond length is 3.25 Å. There are four shorter (2.71 Å) and two longer (2.72 Å) Ba(1)-O(6) bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(7), and four equivalent O(5) atoms. Both Sm(1)-O(1) bond lengths are 2.97 Å. Both Sm(1)-O(4) bond lengths are 2.71 Å. Both Sm(1)-O(7) bond lengths are 2.41 Å. All Sm(1)-O(5) bond lengths are 2.47 Å. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. Both Sm(2)-O(1) bond lengths are 2.82 Å. Both Sm(2)-O(2) bond lengths are 2.48 Å. Both Sm(2)-O(3) bond lengths are 2.39 Å. Both Sm(2)-O(7) bond lengths are 2.45 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. Both Ti(1)-O(1) bond lengths are 1.95 Å. Both Ti(1)-O(2) bond lengths are 1.99 Å. Both Ti(1)-O(5) bond lengths are 1.93 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. The Ti(2)-O(3) bond length is 2.00 Å. The Ti(2)-O(4) bond length is 1.94 Å. The Ti(2)-O(5) bond length is 2.30 Å. The Ti(2)-O(6) bond length is 1.77 Å. Both Ti(2)-O(7) bond lengths are 2.01 Å. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sm(1), one Ti(1), and one Ti(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ti(2) atom. In the third O site, O(7) is bonded to one Sm(1), one Sm(2), and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OSm2Ti2 trigonal pyramids. In the fourth O site, O(1) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent Sm(2), and two equivalent Ti(1) atoms. In the fifth O site, O(2) is bonded to two equivalent Sm(2) and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSm2Ti2 tetrahedra. In the sixth O site, O(3) is bonded to two equivalent Sm(2) and two equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OSm2Ti2 tetrahedra. In the seventh O site, O(4) is bonded in a distorted linear geometry to one Ba(1), two equivalent Sm(1), and two equivalent Ti(2) atoms.