Materials Data on B5TeH5C by Materials Project
(BH)2B3CH3Te crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight boranediylradical molecules and two B3CH3Te clusters. In each B3CH3Te cluster, there are six inequivalent B+0.60+ sites. In the first B+0.60+ site, B+0.60+ is bonded in a distorted trigonal planar geometry to two C4- and one H+0.60+ atom. Both B–C bond lengths are 1.72 Å. The B–H bond length is 1.19 Å. In the second B+0.60+ site, B+0.60+ is bonded in a bent 120 degrees geometry to one C4- and one H+0.60+ atom. The B–C bond length is 1.71 Å. The B–H bond length is 1.19 Å. In the third B+0.60+ site, B+0.60+ is bonded in a bent 120 degrees geometry to one C4- and one H+0.60+ atom. The B–C bond length is 1.70 Å. The B–H bond length is 1.19 Å. In the fourth B+0.60+ site, B+0.60+ is bonded in a distorted trigonal planar geometry to two C4- and one H+0.60+ atom. Both B–C bond lengths are 1.71 Å. The B–H bond length is 1.18 Å. In the fifth B+0.60+ site, B+0.60+ is bonded in a bent 120 degrees geometry to one C4- and one H+0.60+ atom. The B–C bond length is 1.71 Å. The B–H bond length is 1.19 Å. In the sixth B+0.60+ site, B+0.60+ is bonded in a bent 120 degrees geometry to one C4- and one H+0.60+ atom. The B–C bond length is 1.71 Å. The B–H bond length is 1.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to four B+0.60+, one C4-, and one Te2- atom. The C–C bond length is 1.69 Å. The C–Te bond length is 2.19 Å. In the second C4- site, C4- is bonded in a 6-coordinate geometry to four B+0.60+, one C4-, and one Te2- atom. The C–Te bond length is 2.19 Å. There are five inequivalent H+0.60+ sites. In the first H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B+0.60+ atom. In the second H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B+0.60+ atom. In the third H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B+0.60+ atom. In the fourth H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B+0.60+ atom. In the fifth H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B+0.60+ atom. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a single-bond geometry to one C4- atom. In the second Te2- site, Te2- is bonded in a single-bond geometry to one C4- atom.