CaMnO2 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CaO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with eight equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with eight equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Mn(1) atoms.
CaMnO2 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CaO6 octahedra that share corners with four equivalent Ca(1)O6 octahedra, corners with eight equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. There is one shorter (2.32 Å) and two longer (2.36 Å) Ca(1)-O(1) bond lengths. There are two shorter (2.41 Å) and one longer (2.60 Å) Ca(1)-O(2) bond length. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with eight equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are two shorter (2.24 Å) and one longer (2.74 Å) Mn(1)-O(1) bond length. There is one shorter (2.24 Å) and two longer (2.25 Å) Mn(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Mn(1) atoms.