CaRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Ru(1) atoms to form distorted corner-sharing OCa2Ru2 tetrahedra.
CaRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. There is one shorter (2.30 Å) and one longer (2.38 Å) Ca(1)-O(2) bond length. There are a spread of Ca(1)-O(1) bond distances ranging from 2.34-2.67 Å. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 31°. Both Ru(1)-O(2) bond lengths are 1.99 Å. There are two shorter (1.99 Å) and two longer (2.00 Å) Ru(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Ru(1) atoms to form distorted corner-sharing OCa2Ru2 tetrahedra.