Materials Data on Ga2Te2Cl7 by Materials Project

Abstract

Ga2TeCl7Te crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four tellurium molecules and two Ga2TeCl7 ribbons oriented in the (2, 0, 1) direction. In each Ga2TeCl7 ribbon, there are two inequivalent Ga+2.50+ sites. In the first Ga+2.50+ site, Ga+2.50+ is bonded to four Cl1- atoms to form corner-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.16–2.34 Å. In the second Ga+2.50+ site, Ga+2.50+ is bonded to four Cl1- atoms to form corner-sharing GaCl4 tetrahedra. There are a spread of Ga–Cl bond distances ranging from 2.16–2.35 Å. Te1+ is bonded in a 2-coordinate geometry to two Cl1- atoms. Both Te–Cl bond lengths are 3.31 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ and one Te1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ and one Te1+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga+2.50+ atom. In the seventh Cl1- site, Cl1- is bonded in a water-like geometry to two Ga+2.50+ atoms.