SmTiNbBi2O9 is Esseneite-derived structured and crystallizes in the monoclinic P2_1 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. Ti(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with five equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(6), and two equivalent O(7) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(6), and two equivalent O(7) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nb(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sm(1), one Ti(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sm(1), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Sm(1), one Ti(1), and one Nb(1) atom. In the sixth O site, O(6) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Sm(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OSm2TiNb trigonal pyramids. In the ninth O site, O(9) is bonded to two equivalent Sm(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OSm2TiNb trigonal pyramids.
SmTiNbBi2O9 is Esseneite-derived structured and crystallizes in the monoclinic P2_1 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. The Sm(1)-O(3) bond length is 2.56 Å. The Sm(1)-O(4) bond length is 2.55 Å. There is one shorter (2.34 Å) and one longer (2.37 Å) Sm(1)-O(5) bond length. There is one shorter (2.42 Å) and one longer (2.51 Å) Sm(1)-O(8) bond length. There is one shorter (2.42 Å) and one longer (2.52 Å) Sm(1)-O(9) bond length. Ti(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with five equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. The Ti(1)-O(1) bond length is 1.80 Å. The Ti(1)-O(3) bond length is 2.05 Å. The Ti(1)-O(4) bond length is 1.91 Å. The Ti(1)-O(5) bond length is 2.25 Å. The Ti(1)-O(8) bond length is 2.13 Å. The Ti(1)-O(9) bond length is 1.94 Å. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. The Nb(1)-O(2) bond length is 1.89 Å. The Nb(1)-O(3) bond length is 1.92 Å. The Nb(1)-O(4) bond length is 2.05 Å. The Nb(1)-O(5) bond length is 2.20 Å. The Nb(1)-O(8) bond length is 2.00 Å. The Nb(1)-O(9) bond length is 2.16 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(6), and two equivalent O(7) atoms. The Bi(1)-O(1) bond length is 2.42 Å. The Bi(1)-O(2) bond length is 2.71 Å. There is one shorter (2.23 Å) and one longer (2.47 Å) Bi(1)-O(6) bond length. There is one shorter (2.28 Å) and one longer (2.36 Å) Bi(1)-O(7) bond length. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(6), and two equivalent O(7) atoms. The Bi(2)-O(1) bond length is 2.75 Å. The Bi(2)-O(2) bond length is 2.48 Å. There is one shorter (2.29 Å) and one longer (2.32 Å) Bi(2)-O(6) bond length. There is one shorter (2.23 Å) and one longer (2.44 Å) Bi(2)-O(7) bond length. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nb(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sm(1), one Ti(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sm(1), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Sm(1), one Ti(1), and one Nb(1) atom. In the sixth O site, O(6) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Sm(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OSm2TiNb trigonal pyramids. In the ninth O site, O(9) is bonded to two equivalent Sm(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OSm2TiNb trigonal pyramids.