LiAs crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(1) atoms.
LiAs crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are two shorter (2.65 Å) and one longer (2.81 Å) Li(1)-As(1) bond length. There are a spread of Li(1)-As(2) bond distances ranging from 2.73-2.95 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. There are a spread of Li(2)-As(1) bond distances ranging from 2.82-2.93 Å. There are a spread of Li(2)-As(2) bond distances ranging from 2.65-2.75 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(2) atoms. There is one shorter (2.46 Å) and one longer (2.48 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 8-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and two equivalent As(1) atoms.