CoSbTe is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form CoSb2Te4 octahedra that share corners with eight equivalent Co(2)Sb4Te2 octahedra and edges with two equivalent Co(1)Sb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second Co site, Co(2) is bonded to four equivalent Sb(1) and two equivalent Te(1) atoms to form CoSb4Te2 octahedra that share corners with eight equivalent Co(1)Sb2Te4 octahedra and edges with two equivalent Co(2)Sb4Te2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. Sb(1) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one Sb(1) atom. Te(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms.
CoSbTe is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Sb(1) and four equivalent Te(1) atoms to form CoSb2Te4 octahedra that share corners with eight equivalent Co(2)Sb4Te2 octahedra and edges with two equivalent Co(1)Sb2Te4 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. Both Co(1)-Sb(1) bond lengths are 2.56 Å. All Co(1)-Te(1) bond lengths are 2.55 Å. In the second Co site, Co(2) is bonded to four equivalent Sb(1) and two equivalent Te(1) atoms to form CoSb4Te2 octahedra that share corners with eight equivalent Co(1)Sb2Te4 octahedra and edges with two equivalent Co(2)Sb4Te2 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. All Co(2)-Sb(1) bond lengths are 2.57 Å. Both Co(2)-Te(1) bond lengths are 2.49 Å. Sb(1) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(2), and one Sb(1) atom. The Sb(1)-Sb(1) bond length is 2.83 Å. Te(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms.