Materials Data on Te3C2S2(OF)6 by Materials Project
(CF3)2Te2SO3TeSO3 crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of eight fluoroform molecules, four Te2SO3 clusters, and four TeSO3 clusters. In each Te2SO3 cluster, there are two inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded in a single-bond geometry to one O2- atom. The Te–O bond length is 2.74 Å. In the second Te+4.67+ site, Te+4.67+ is bonded in a single-bond geometry to one O2- atom. The Te–O bond length is 2.87 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.46 Å) and two longer (1.47 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Te+4.67+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Te+4.67+ and one S2- atom. In each TeSO3 cluster, Te+4.67+ is bonded in a single-bond geometry to one O2- atom. The Te–O bond length is 2.67 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Te+4.67+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.