CaMn2Sb2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to six equivalent Sb(1) atoms to form CaSb6 octahedra that share corners with twelve equivalent Mn(1)Sb4 tetrahedra, edges with six equivalent Ca(1)Sb6 octahedra, and edges with six equivalent Mn(1)Sb4 tetrahedra. Mn(1) is bonded to four equivalent Sb(1) atoms to form MnSb4 tetrahedra that share corners with six equivalent Ca(1)Sb6 octahedra, corners with six equivalent Mn(1)Sb4 tetrahedra, edges with three equivalent Ca(1)Sb6 octahedra, and edges with three equivalent Mn(1)Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°. Sb(1) is bonded to three equivalent Ca(1) and four equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing SbCa3Mn4 pentagonal bipyramids.
CaMn2Sb2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to six equivalent Sb(1) atoms to form CaSb6 octahedra that share corners with twelve equivalent Mn(1)Sb4 tetrahedra, edges with six equivalent Ca(1)Sb6 octahedra, and edges with six equivalent Mn(1)Sb4 tetrahedra. There are two shorter (3.21 Å) and four longer (3.23 Å) Ca(1)-Sb(1) bond lengths. Mn(1) is bonded to four equivalent Sb(1) atoms to form MnSb4 tetrahedra that share corners with six equivalent Ca(1)Sb6 octahedra, corners with six equivalent Mn(1)Sb4 tetrahedra, edges with three equivalent Ca(1)Sb6 octahedra, and edges with three equivalent Mn(1)Sb4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°. There are a spread of Mn(1)-Sb(1) bond distances ranging from 2.71-2.76 Å. Sb(1) is bonded to three equivalent Ca(1) and four equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing SbCa3Mn4 pentagonal bipyramids.