Materials Data on BaTe3 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1307982· OSTI ID:1307982

The Materials Project

BaTe3 is Barium trisulfide structured and crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to twelve Te atoms. There are a spread of Ba–Te bond distances ranging from 3.65–4.07 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 5-coordinate geometry to four equivalent Ba and two equivalent Te atoms. There are one shorter (2.85 Å) and one longer (3.50 Å) Te–Te bond lengths. In the second Te site, Te is bonded in a 2-coordinate geometry to four equivalent Ba and four equivalent Te 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: 1307982
• Report Number(s): mp-8234
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
BaTe3
Ba-Te