CoBiTe 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 Bi(1) and four equivalent Te(1) atoms to form CoBi2Te4 octahedra that share corners with eight equivalent Co(2)Bi4Te2 octahedra and edges with two equivalent Co(1)Bi2Te4 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second Co site, Co(2) is bonded to four equivalent Bi(1) and two equivalent Te(1) atoms to form CoBi4Te2 octahedra that share corners with eight equivalent Co(1)Bi2Te4 octahedra and edges with two equivalent Co(2)Bi4Te2 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. Bi(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. Te(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms.
CoBiTe 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 Bi(1) and four equivalent Te(1) atoms to form CoBi2Te4 octahedra that share corners with eight equivalent Co(2)Bi4Te2 octahedra and edges with two equivalent Co(1)Bi2Te4 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. Both Co(1)-Bi(1) bond lengths are 2.64 Å. All Co(1)-Te(1) bond lengths are 2.57 Å. In the second Co site, Co(2) is bonded to four equivalent Bi(1) and two equivalent Te(1) atoms to form CoBi4Te2 octahedra that share corners with eight equivalent Co(1)Bi2Te4 octahedra and edges with two equivalent Co(2)Bi4Te2 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. All Co(2)-Bi(1) bond lengths are 2.65 Å. Both Co(2)-Te(1) bond lengths are 2.54 Å. Bi(1) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. Te(1) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms.