Bi3TiNbO9 is Esseneite-like structured and crystallizes in the monoclinic P2_1 space group. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. Nb(1) is bonded in a distorted octahedral geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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(8), and two equivalent O(9) atoms. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(8), and two equivalent O(9) 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(2), and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nb(1), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one Nb(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ti(1), one Nb(1), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ti(1), one Nb(1), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Nb(1), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Nb(1), and one Bi(1) atom. In the eighth O site, O(8) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.
Bi3TiNbO9 is Esseneite-like structured and crystallizes in the monoclinic P2_1 space group. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Ti(1)-O(1) bond length is 1.80 Å. The Ti(1)-O(3) bond length is 2.33 Å. The Ti(1)-O(4) bond length is 2.11 Å. The Ti(1)-O(5) bond length is 1.92 Å. The Ti(1)-O(6) bond length is 2.06 Å. The Ti(1)-O(7) bond length is 1.91 Å. Nb(1) is bonded in a distorted octahedral geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Nb(1)-O(2) bond length is 1.88 Å. The Nb(1)-O(3) bond length is 2.27 Å. The Nb(1)-O(4) bond length is 1.96 Å. The Nb(1)-O(5) bond length is 2.13 Å. The Nb(1)-O(6) bond length is 1.93 Å. The Nb(1)-O(7) bond length is 2.07 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(6), one O(7), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. The Bi(1)-O(6) bond length is 2.54 Å. The Bi(1)-O(7) bond length is 2.52 Å. There is one shorter (2.26 Å) and one longer (2.32 Å) Bi(1)-O(3) bond length. There is one shorter (2.58 Å) and one longer (2.60 Å) Bi(1)-O(4) bond length. There is one shorter (2.58 Å) and one longer (2.61 Å) Bi(1)-O(5) 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(8), and two equivalent O(9) atoms. The Bi(2)-O(1) bond length is 2.48 Å. The Bi(2)-O(2) bond length is 2.67 Å. There is one shorter (2.23 Å) and one longer (2.47 Å) Bi(2)-O(8) bond length. There is one shorter (2.29 Å) and one longer (2.33 Å) Bi(2)-O(9) bond length. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(8), and two equivalent O(9) atoms. The Bi(3)-O(1) bond length is 2.67 Å. The Bi(3)-O(2) bond length is 2.52 Å. There is one shorter (2.29 Å) and one longer (2.31 Å) Bi(3)-O(8) bond length. There is one shorter (2.22 Å) and one longer (2.47 Å) Bi(3)-O(9) 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(2), and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nb(1), one Bi(2), and one Bi(3) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one Nb(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ti(1), one Nb(1), and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ti(1), one Nb(1), and two equivalent Bi(1) atoms. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Nb(1), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(1), one Nb(1), and one Bi(1) atom. In the eighth O site, O(8) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the ninth O site, O(9) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.