LiAlAs2 crystallizes in the orthorhombic Ibca space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Al(1), one As(2), one As(3), and two equivalent As(1) atoms. Al(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), one As(1), one As(3), one As(4), and two equivalent As(2) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted hexagonal planar geometry to four equivalent Li(1) and two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Al(1) atoms. In the third As site, As(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Al(1) atoms. In the fourth As site, As(4) is bonded in a distorted water-like geometry to two equivalent Al(1) atoms.
LiAlAs2 crystallizes in the orthorhombic Ibca space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent Al(1), one As(2), one As(3), and two equivalent As(1) atoms. There is one shorter (2.90 Å) and one longer (3.08 Å) Li(1)-Al(1) bond length. The Li(1)-As(2) bond length is 2.75 Å. The Li(1)-As(3) bond length is 2.58 Å. There is one shorter (2.86 Å) and one longer (2.89 Å) Li(1)-As(1) bond length. Al(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), one As(1), one As(3), one As(4), and two equivalent As(2) atoms. The Al(1)-As(1) bond length is 2.59 Å. The Al(1)-As(3) bond length is 2.48 Å. The Al(1)-As(4) bond length is 2.46 Å. There is one shorter (2.52 Å) and one longer (2.86 Å) Al(1)-As(2) bond length. There are four inequivalent As sites. In the first As site, As(1) is bonded in a distorted hexagonal planar geometry to four equivalent Li(1) and two equivalent Al(1) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Al(1) atoms. In the third As site, As(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Al(1) atoms. In the fourth As site, As(4) is bonded in a distorted water-like geometry to two equivalent Al(1) atoms.