NbAs2 crystallizes in the monoclinic C2/m space group. Nb(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 Nb(1) and three equivalent As(1) atoms. In the second As site, As(2) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms.
NbAs2 crystallizes in the monoclinic C2/m space group. Nb(1) is bonded in a 8-coordinate geometry to three equivalent As(1) and five equivalent As(2) atoms. There are two shorter (2.68 Å) and one longer (2.69 Å) Nb(1)-As(1) bond length. There are two shorter (2.72 Å) and three longer (2.75 Å) Nb(1)-As(2) bond lengths. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent As(1) atoms. There is one shorter (2.45 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 Nb(1) atoms.