Materials Data on InTeCl by Materials Project
InTeCl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three Te2- and one Cl1- atom to form distorted edge-sharing InTe3Cl tetrahedra. There are a spread of In–Te bond distances ranging from 2.83–2.89 Å. The In–Cl bond length is 2.43 Å. In the second In3+ site, In3+ is bonded in a 1-coordinate geometry to three Te2- and two equivalent Cl1- atoms. There are a spread of In–Te bond distances ranging from 2.83–2.94 Å. There are one shorter (2.43 Å) and one longer (3.27 Å) In–Cl bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three In3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three In3+ and one Cl1- atom. The Te–Cl bond length is 3.70 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent In3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one In3+ and one Te2- atom.