CaMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and four equivalent Mn(1) atoms to form OCa2Mn4 octahedra that share corners with two equivalent O(1)Ca2Mn4 octahedra, corners with four equivalent O(2)Ca4Mn2 octahedra, edges with six equivalent O(1)Ca2Mn4 octahedra, and edges with six equivalent O(2)Ca4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Mn(1) atoms to form OCa4Mn2 octahedra that share corners with two equivalent O(2)Ca4Mn2 octahedra, corners with four equivalent O(1)Ca2Mn4 octahedra, edges with six equivalent O(1)Ca2Mn4 octahedra, and edges with six equivalent O(2)Ca4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
CaMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Ca(1)-O(1) bond lengths are 2.33 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.34-2.39 Å. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Ca(1)O6 octahedra, edges with six equivalent Ca(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. Both Mn(1)-O(2) bond lengths are 2.26 Å. There are a spread of Mn(1)-O(1) bond distances ranging from 2.20-2.40 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and four equivalent Mn(1) atoms to form OCa2Mn4 octahedra that share corners with two equivalent O(1)Ca2Mn4 octahedra, corners with four equivalent O(2)Ca4Mn2 octahedra, edges with six equivalent O(1)Ca2Mn4 octahedra, and edges with six equivalent O(2)Ca4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded to four equivalent Ca(1) and two equivalent Mn(1) atoms to form OCa4Mn2 octahedra that share corners with two equivalent O(2)Ca4Mn2 octahedra, corners with four equivalent O(1)Ca2Mn4 octahedra, edges with six equivalent O(1)Ca2Mn4 octahedra, and edges with six equivalent O(2)Ca4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.