Materials Data on Li2TeSe3 by Materials Project
Li2TeSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–16°. There are a spread of Li–Se bond distances ranging from 2.64–3.26 Å. In the second Li1+ site, Li1+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing LiSe6 octahedra. The corner-sharing octahedra tilt angles range from 1–14°. There are a spread of Li–Se bond distances ranging from 2.78–2.97 Å. Te4+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Te–Se bond distances ranging from 2.54–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Li1+ and one Te4+ atom to form a mixture of edge and corner-sharing SeLi5Te octahedra. The corner-sharing octahedra tilt angles range from 1–16°. In the second Se2- site, Se2- is bonded to four Li1+ and two equivalent Te4+ atoms to form a mixture of distorted edge and corner-sharing SeLi4Te2 octahedra. The corner-sharing octahedra tilt angles range from 1–16°. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to three Li1+ and three equivalent Te4+ atoms.
- 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:
- 1275461
- Report Number(s):
- mp-570080
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on LiMn9Se10 by Materials Project
Materials Data on Li10Ge(PSe6)2 by Materials Project