KSmTiO4 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(3) and five equivalent O(2) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sm(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Sm(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Ti(1) atoms.
KSmTiO4 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(3) and five equivalent O(2) atoms. Both K(1)-O(3) bond lengths are 2.99 Å. There are a spread of K(1)-O(2) bond distances ranging from 2.71-2.83 Å. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Both Sm(1)-O(3) bond lengths are 2.50 Å. Both Sm(1)-O(4) bond lengths are 2.46 Å. There are a spread of Sm(1)-O(1) bond distances ranging from 2.26-2.77 Å. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. The Ti(1)-O(1) bond length is 2.51 Å. The Ti(1)-O(2) bond length is 1.76 Å. Both Ti(1)-O(3) bond lengths are 1.97 Å. Both Ti(1)-O(4) bond lengths are 1.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sm(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Sm(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Ti(1) atoms.