Materials Data on V3S by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1268729· OSTI ID:1268729

The Materials Project

V3S crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent S atoms. Both V–S bond lengths are 2.36 Å. In the second V site, V is bonded in a distorted bent 150 degrees geometry to two equivalent S atoms. Both V–S bond lengths are 2.36 Å. In the third V site, V is bonded to four equivalent S atoms to form a mixture of distorted edge and corner-sharing VS4 tetrahedra. All V–S bond lengths are 2.39 Å. S is bonded in a 8-coordinate geometry to eight V 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: 1268729
• Report Number(s): mp-555283
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
V3S
S-V