Materials Data on Bi3(TeCl5)2 by Materials Project
Bi3(TeCl5)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Bi3(TeCl5)2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Bi+2.67+ sites. In the first Bi+2.67+ site, Bi+2.67+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.53–3.27 Å. In the second Bi+2.67+ site, Bi+2.67+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.63–3.03 Å. In the third Bi+2.67+ site, Bi+2.67+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Bi–Cl bond distances ranging from 2.51–3.05 Å. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.18 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.08 Å. There are ten inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Bi+2.67+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Bi+2.67+ and one Te1+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+2.67+ atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi+2.67+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi+2.67+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Bi+2.67+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two Bi+2.67+ atoms. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi+2.67+ atom. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Bi+2.67+ atoms. In the tenth Cl1- site, Cl1- is bonded in a water-like geometry to one Bi+2.67+ and one Te1+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1278197
- Report Number(s):
- mp-623135
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Bi3(TeCl5)2 by Materials Project
Materials Data on Bi2TeIClO8 by Materials Project