Ta3As crystallizes in the monoclinic C2/c space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. In the second Ta site, Ta(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. In the third Ta site, Ta(3) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. In the fourth Ta site, Ta(4) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the fifth Ta site, Ta(5) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. In the sixth Ta site, Ta(6) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms.
Ta3As crystallizes in the monoclinic C2/c space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. There is one shorter (2.62 Å) and one longer (2.65 Å) Ta(1)-As(1) bond length. There is one shorter (2.64 Å) and one longer (2.66 Å) Ta(1)-As(2) bond length. In the second Ta site, Ta(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing TaAs4 tetrahedra. There is one shorter (2.64 Å) and one longer (2.66 Å) Ta(2)-As(1) bond length. There is one shorter (2.62 Å) and one longer (2.66 Å) Ta(2)-As(2) bond length. In the third Ta site, Ta(3) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. The Ta(3)-As(1) bond length is 2.63 Å. The Ta(3)-As(2) bond length is 2.62 Å. In the fourth Ta site, Ta(4) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. The Ta(4)-As(1) bond length is 2.63 Å. The Ta(4)-As(2) bond length is 2.66 Å. In the fifth Ta site, Ta(5) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. The Ta(5)-As(1) bond length is 2.63 Å. The Ta(5)-As(2) bond length is 2.66 Å. In the sixth Ta site, Ta(6) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. The Ta(6)-As(1) bond length is 2.64 Å. The Ta(6)-As(2) bond length is 2.62 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Ta(3), one Ta(4), one Ta(5), one Ta(6), two equivalent Ta(1), and two equivalent Ta(2) atoms.