Ca3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted linear geometry to three equivalent Si(1) and two equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a distorted linear geometry to three equivalent Si(1) and two equivalent O(1) atoms. Si(1) is bonded in a 9-coordinate geometry to three equivalent Ca(2) and six equivalent Ca(1) atoms. O(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°.
Ca3SiO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted linear geometry to three equivalent Si(1) and two equivalent O(1) atoms. There are a spread of Ca(1)-Si(1) bond distances ranging from 3.10-3.32 Å. Both Ca(1)-O(1) bond lengths are 2.37 Å. In the second Ca site, Ca(2) is bonded in a distorted linear geometry to three equivalent Si(1) and two equivalent O(1) atoms. There are a spread of Ca(2)-Si(1) bond distances ranging from 3.09-3.41 Å. Both Ca(2)-O(1) bond lengths are 2.37 Å. Si(1) is bonded in a 9-coordinate geometry to three equivalent Ca(2) and six equivalent Ca(1) atoms. O(1) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form corner-sharing OCa6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°.