SrTiSi2O7 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), and eight equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Si(1) atoms.
SrTiSi2O7 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), and eight equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.84 Å. Both Sr(1)-O(1) bond lengths are 2.85 Å. There are four shorter (2.69 Å) and four longer (2.89 Å) Sr(1)-O(3) bond lengths. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(3) atoms. The Ti(1)-O(2) bond length is 1.68 Å. All Ti(1)-O(3) bond lengths are 2.02 Å. Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. The Si(1)-O(1) bond length is 1.67 Å. The Si(1)-O(4) bond length is 1.60 Å. Both Si(1)-O(3) bond lengths are 1.63 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Ti(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Si(1) atoms.