CaMn3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm 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 six equivalent Mn(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(2), and four equivalent Mn(1) atoms to form OCaMn5 octahedra that share corners with six equivalent O(1)CaMn5 octahedra, edges with four equivalent O(1)CaMn5 octahedra, and edges with eight equivalent O(2)Ca2Mn4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OCa2Mn4 octahedra that share corners with six equivalent O(2)Ca2Mn4 octahedra, edges with four equivalent O(2)Ca2Mn4 octahedra, and edges with eight equivalent O(1)CaMn5 octahedra. The corner-sharing octahedra are not tilted.
CaMn3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm 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 six equivalent Mn(2)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Ca(1)-O(1) bond lengths are 2.34 Å. All Ca(1)-O(2) bond lengths are 2.34 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with four equivalent Ca(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. Both Mn(1)-O(2) bond lengths are 2.29 Å. All Mn(1)-O(1) bond lengths are 2.30 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with eight equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Mn(2)-O(1) bond lengths are 2.25 Å. All Mn(2)-O(2) bond lengths are 2.26 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Mn(2), and four equivalent Mn(1) atoms to form OCaMn5 octahedra that share corners with six equivalent O(1)CaMn5 octahedra, edges with four equivalent O(1)CaMn5 octahedra, and edges with eight equivalent O(2)Ca2Mn4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form OCa2Mn4 octahedra that share corners with six equivalent O(2)Ca2Mn4 octahedra, edges with four equivalent O(2)Ca2Mn4 octahedra, and edges with eight equivalent O(1)CaMn5 octahedra. The corner-sharing octahedra are not tilted.