Li3MnAs2 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. In the second Li site, Li(2) is bonded to four equivalent As(1) atoms to form distorted LiAs4 tetrahedra that share corners with four equivalent Li(2)As4 tetrahedra and edges with four equivalent Mn(1)As4 tetrahedra. Mn(1) is bonded to four equivalent As(1) atoms to form distorted MnAs4 tetrahedra that share corners with four equivalent Mn(1)As4 tetrahedra and edges with four equivalent Li(2)As4 tetrahedra. As(1) is bonded in a body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Mn(1) atoms.
Li3MnAs2 crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. There are two shorter (2.63 Å) and two longer (2.66 Å) Li(1)-As(1) bond lengths. In the second Li site, Li(2) is bonded to four equivalent As(1) atoms to form distorted LiAs4 tetrahedra that share corners with four equivalent Li(2)As4 tetrahedra and edges with four equivalent Mn(1)As4 tetrahedra. All Li(2)-As(1) bond lengths are 2.41 Å. Mn(1) is bonded to four equivalent As(1) atoms to form distorted MnAs4 tetrahedra that share corners with four equivalent Mn(1)As4 tetrahedra and edges with four equivalent Li(2)As4 tetrahedra. All Mn(1)-As(1) bond lengths are 2.41 Å. As(1) is bonded in a body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Mn(1) atoms.