CaMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded to four equivalent Mn(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted CaMn4Bi8 cuboctahedra that share corners with four equivalent Ca(1)Mn4Bi8 cuboctahedra, corners with eight equivalent Mn(1)Ca4Bi4 tetrahedra, edges with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Ca(1)Mn4Bi8 cuboctahedra. Mn(1) is bonded to four equivalent Ca(1) and four equivalent Bi(2) atoms to form distorted MnCa4Bi4 tetrahedra that share corners with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Mn(1)Ca4Bi4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms.
CaMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded to four equivalent Mn(1), four equivalent Bi(1), and four equivalent Bi(2) atoms to form distorted CaMn4Bi8 cuboctahedra that share corners with four equivalent Ca(1)Mn4Bi8 cuboctahedra, corners with eight equivalent Mn(1)Ca4Bi4 tetrahedra, edges with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Ca(1)Mn4Bi8 cuboctahedra. All Ca(1)-Mn(1) bond lengths are 3.64 Å. All Ca(1)-Bi(1) bond lengths are 3.45 Å. All Ca(1)-Bi(2) bond lengths are 3.40 Å. Mn(1) is bonded to four equivalent Ca(1) and four equivalent Bi(2) atoms to form distorted MnCa4Bi4 tetrahedra that share corners with eight equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Ca(1)Mn4Bi8 cuboctahedra, edges with four equivalent Mn(1)Ca4Bi4 tetrahedra, and faces with four equivalent Mn(1)Ca4Bi4 tetrahedra. All Mn(1)-Bi(2) bond lengths are 2.85 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.21 Å. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms.