Bi6TiP2O16 crystallizes in the monoclinic C2 space group. Ti(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(8), and one O(9) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are nine inequivalent O sites. In the first O site, O(9) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O site, O(1) is bonded in a single-bond geometry to one Bi(1) and one P(1) atom. In the third O site, O(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(3) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Bi(2) and one P(1) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Bi(1), and one P(1) atom. In the ninth O site, O(8) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.
Bi6TiP2O16 crystallizes in the monoclinic C2 space group. Ti(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. Both Ti(1)-O(4) bond lengths are 1.95 Å. Both Ti(1)-O(6) bond lengths are 1.87 Å. Both Ti(1)-O(7) bond lengths are 2.16 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms. The Bi(1)-O(1) bond length is 2.89 Å. The Bi(1)-O(6) bond length is 2.30 Å. The Bi(1)-O(7) bond length is 2.77 Å. There is one shorter (2.22 Å) and one longer (2.56 Å) Bi(1)-O(2) bond length. There is one shorter (2.25 Å) and one longer (2.57 Å) Bi(1)-O(8) bond length. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. The Bi(2)-O(2) bond length is 2.27 Å. The Bi(2)-O(3) bond length is 2.38 Å. The Bi(2)-O(5) bond length is 2.74 Å. The Bi(2)-O(6) bond length is 2.42 Å. The Bi(2)-O(8) bond length is 2.32 Å. The Bi(2)-O(9) bond length is 2.37 Å. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(8), and one O(9) atom. The Bi(3)-O(2) bond length is 2.32 Å. The Bi(3)-O(3) bond length is 2.28 Å. The Bi(3)-O(8) bond length is 2.24 Å. The Bi(3)-O(9) bond length is 2.28 Å. P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.60 Å. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.57 Å. There are nine inequivalent O sites. In the first O site, O(9) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O site, O(1) is bonded in a single-bond geometry to one Bi(1) and one P(1) atom. In the third O site, O(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(3) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Bi(2) and one P(1) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Bi(1), and one P(1) atom. In the ninth O site, O(8) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.