SrMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent Bi(1) and four equivalent Bi(2) atoms to form distorted SrBi8 cuboctahedra that share corners with eight equivalent Sr(1)Bi8 cuboctahedra, corners with eight equivalent Mn(1)Bi4 tetrahedra, edges with four equivalent Mn(1)Bi4 tetrahedra, and faces with five equivalent Sr(1)Bi8 cuboctahedra. Mn(1) is bonded to four equivalent Bi(2) atoms to form MnBi4 tetrahedra that share corners with eight equivalent Sr(1)Bi8 cuboctahedra, corners with four equivalent Mn(1)Bi4 tetrahedra, edges with four equivalent Sr(1)Bi8 cuboctahedra, and edges with four equivalent Mn(1)Bi4 tetrahedra. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Bi(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Mn(1) atoms.
SrMnBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent Bi(1) and four equivalent Bi(2) atoms to form distorted SrBi8 cuboctahedra that share corners with eight equivalent Sr(1)Bi8 cuboctahedra, corners with eight equivalent Mn(1)Bi4 tetrahedra, edges with four equivalent Mn(1)Bi4 tetrahedra, and faces with five equivalent Sr(1)Bi8 cuboctahedra. All Sr(1)-Bi(1) bond lengths are 3.54 Å. All Sr(1)-Bi(2) bond lengths are 3.53 Å. Mn(1) is bonded to four equivalent Bi(2) atoms to form MnBi4 tetrahedra that share corners with eight equivalent Sr(1)Bi8 cuboctahedra, corners with four equivalent Mn(1)Bi4 tetrahedra, edges with four equivalent Sr(1)Bi8 cuboctahedra, and edges with four equivalent Mn(1)Bi4 tetrahedra. All Mn(1)-Bi(2) bond lengths are 2.84 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent Sr(1) and four equivalent Bi(1) atoms. All Bi(1)-Bi(1) bond lengths are 3.26 Å. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Mn(1) atoms.