TaAs2 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded in a 8-coordinate geometry to three equivalent As(1) and five equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent As(1) atoms. In the second As site, As(2) is bonded in a 5-coordinate geometry to five equivalent Ta(1) atoms.
TaAs2 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded in a 8-coordinate geometry to three equivalent As(1) and five equivalent As(2) atoms. All Ta(1)-As(1) bond lengths are 2.67 Å. There are a spread of Ta(1)-As(2) bond distances ranging from 2.71-2.74 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent As(1) atoms. There is one shorter (2.43 Å) and two longer (2.88 Å) As(1)-As(1) bond lengths. In the second As site, As(2) is bonded in a 5-coordinate geometry to five equivalent Ta(1) atoms.