Materials Data on CuTe4H12C4N by Materials Project

Abstract

CuTe4N(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four tetramethylammonium molecules and one CuTe4 sheet oriented in the (1, 0, 0) direction. In the CuTe4 sheet, Cu1+ is bonded to four Te2- atoms to form edge-sharing CuTe4 tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.68 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted single-bond geometry to one Cu1+ and one Te2- atom. The Te–Te bond length is 3.43 Å. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cu1+ and one Te2- atom. The Te–Te bond length is 2.83 Å. In the third Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.90 Å) and one longer (3.45 Å) Te–Te bond lengths. In the fourth Te2- site, Te2- is bonded in a distorted single-bond geometry to one Cu1+ and two equivalent Te2- atoms.