Materials Data on TiS2 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1325098· OSTI ID:1325098

The Materials Project

TiS2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent S2- atoms to form a mixture of edge and face-sharing TiS12 cuboctahedra. All Ti–S bond lengths are 2.89 Å. S2- is bonded in a 11-coordinate geometry to six equivalent Ti4+ and five equivalent S2- atoms. There are three shorter (2.49 Å) and two longer (2.93 Å) S–S bond lengths.

• 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: 1325098
• Report Number(s): mp-1008676
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TiS2
S-Ti