Sr3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to three equivalent Si(1) and two equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to two equivalent Si(1) and two equivalent O(1) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Sr(2) and six equivalent Sr(1) atoms. O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°.
Sr3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to three equivalent Si(1) and two equivalent O(1) atoms. There are a spread of Sr(1)-Si(1) bond distances ranging from 3.20-3.54 Å. Both Sr(1)-O(1) bond lengths are 2.56 Å. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to two equivalent Si(1) and two equivalent O(1) atoms. There is one shorter (3.19 Å) and one longer (3.37 Å) Sr(2)-Si(1) bond length. Both Sr(2)-O(1) bond lengths are 2.56 Å. Si(1) is bonded in a 8-coordinate geometry to two equivalent Sr(2) and six equivalent Sr(1) atoms. O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°.