Materials Data on Tl2CS3 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1269757· OSTI ID:1269757

The Materials Project

Tl2CS3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.12–3.63 Å. C4+ is bonded in a trigonal planar geometry to three S2- atoms. All C–S bond lengths are 1.72 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Tl1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six equivalent Tl1+ and one C4+ 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: 1269757
• Report Number(s): mp-557251
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Tl2CS3
C-S-Tl