ZrTi3As2 crystallizes in the tetragonal I4mm space group. Zr(1) is bonded in a 5-coordinate geometry to one As(1) and four equivalent As(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted square co-planar geometry to two equivalent As(1) and two equivalent As(2) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Zr(1), four equivalent Ti(1), and four equivalent Ti(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Ti(2), and four equivalent Ti(1) atoms.
ZrTi3As2 crystallizes in the tetragonal I4mm space group. Zr(1) is bonded in a 5-coordinate geometry to one As(1) and four equivalent As(2) atoms. The Zr(1)-As(1) bond length is 2.71 Å. All Zr(1)-As(2) bond lengths are 2.73 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted square co-planar geometry to two equivalent As(1) and two equivalent As(2) atoms. Both Ti(1)-As(1) bond lengths are 2.67 Å. Both Ti(1)-As(2) bond lengths are 2.70 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. The Ti(2)-As(2) bond length is 2.78 Å. All Ti(2)-As(1) bond lengths are 2.71 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Zr(1), four equivalent Ti(1), and four equivalent Ti(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Ti(2), and four equivalent Ti(1) atoms.