FeAsTe crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to three equivalent As(1) and three equivalent Te(1) atoms to form distorted FeTe3As3 octahedra that share corners with eight equivalent Fe(1)Te3As3 octahedra, corners with three equivalent Te(1)Fe3As tetrahedra, and edges with two equivalent Fe(1)Te3As3 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. As(1) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Te(1) atom. Te(1) is bonded to three equivalent Fe(1) and one As(1) atom to form distorted TeFe3As tetrahedra that share corners with three equivalent Fe(1)Te3As3 octahedra, corners with four equivalent Te(1)Fe3As tetrahedra, and  an edgeedge with one Te(1)Fe3As tetrahedra. The corner-sharing octahedral tilt angles range from 72-78°.
FeAsTe crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to three equivalent As(1) and three equivalent Te(1) atoms to form distorted FeTe3As3 octahedra that share corners with eight equivalent Fe(1)Te3As3 octahedra, corners with three equivalent Te(1)Fe3As tetrahedra, and edges with two equivalent Fe(1)Te3As3 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. There are two shorter (2.32 Å) and one longer (2.35 Å) Fe(1)-As(1) bond length. There are a spread of Fe(1)-Te(1) bond distances ranging from 2.56-2.59 Å. As(1) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one Te(1) atom. The As(1)-Te(1) bond length is 2.71 Å. Te(1) is bonded to three equivalent Fe(1) and one As(1) atom to form distorted TeFe3As tetrahedra that share corners with three equivalent Fe(1)Te3As3 octahedra, corners with four equivalent Te(1)Fe3As tetrahedra, and  an edgeedge with one Te(1)Fe3As tetrahedra. The corner-sharing octahedral tilt angles range from 72-78°.