Li3MnP2 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 P(1) atoms. In the second Li site, Li(2) is bonded to four equivalent P(1) atoms to form distorted corner-sharing LiP4 tetrahedra. Mn(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Mn(1) atoms.
Li3MnP2 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 P(1) atoms. There are two shorter (2.56 Å) and two longer (2.57 Å) Li(1)-P(1) bond lengths. In the second Li site, Li(2) is bonded to four equivalent P(1) atoms to form distorted corner-sharing LiP4 tetrahedra. All Li(2)-P(1) bond lengths are 2.31 Å. Mn(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. All Mn(1)-P(1) bond lengths are 2.31 Å. P(1) is bonded in a body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Mn(1) atoms.