Sr3SiO5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Si(1) atom.
Sr3SiO5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. Both Sr(1)-O(1) bond lengths are 2.73 Å. All Sr(1)-O(2) bond lengths are 2.89 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Both Sr(2)-O(1) bond lengths are 2.54 Å. There are two shorter (2.49 Å) and four longer (2.81 Å) Sr(2)-O(2) bond lengths. Si(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. All Si(1)-O(2) bond lengths are 1.65 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Si(1) atom.