Materials Data on Te8RuCl2 by Materials Project

Abstract

RuTe8Cl2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ru6+ is bonded in an octahedral geometry to six Te+0.50- atoms. There are four shorter (2.67 Å) and two longer (2.68 Å) Ru–Te bond lengths. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a 2-coordinate geometry to one Ru6+, two Te+0.50-, and two Cl1- atoms. There are one shorter (2.79 Å) and one longer (2.88 Å) Te–Te bond lengths. There are one shorter (3.12 Å) and one longer (4.01 Å) Te–Cl bond lengths. In the second Te+0.50- site, Te+0.50- is bonded in a 3-coordinate geometry to one Ru6+, two Te+0.50-, and three Cl1- atoms. There are one shorter (2.89 Å) and one longer (2.91 Å) Te–Te bond lengths. There are a spread of Te–Cl bond distances ranging from 3.31–3.94 Å. In the third Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to one Ru6+, two Te+0.50-, and three Cl1- atoms. The Te–Te bond length is 2.82 Å. There are a spread of Te–Cl bond distances ranging from 3.33–3.92 Å. In the fourth Te+0.50- site, Te+0.50- is bonded in a 4-coordinate geometry to two Te+0.50- and four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 3.79–4.09 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 12-coordinate geometry to twelve Te+0.50- atoms. In the second Cl1- site, Cl1- is bonded in a 12-coordinate geometry to twelve Te+0.50- atoms.