Materials Data on TeC12(BrF5)2 by Materials Project
(CF)4C8Te(BrF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of sixteen fluoromethane molecules and two C8Te(BrF3)2 ribbons oriented in the (1, 0, 0) direction. In each C8Te(BrF3)2 ribbon, there are eight inequivalent C+1.17+ sites. In the first C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the second C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the third C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one Te2- atom. The C–Te bond length is 2.14 Å. In the fourth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the fifth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one Te2- atom. The C–Te bond length is 2.16 Å. In the sixth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.34 Å. In the seventh C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the eighth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.34 Å. Te2- is bonded in a 4-coordinate geometry to two C+1.17+ and four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.69–3.84 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Te2- and four F1- atoms. There are a spread of Br–F bond distances ranging from 3.21–3.56 Å. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Te2- and four F1- atoms. There are a spread of Br–F bond distances ranging from 3.22–3.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and two Br1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and two Br1- atoms.