Materials Data on V2B3 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313048· OSTI ID:1313048

V2B3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded to twelve B3- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.30–2.36 Å. In the second V+4.50+ site, V+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of V–B bond distances ranging from 2.21–2.32 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent V+4.50+ and three B3- atoms. There is two shorter (1.72 Å) and one longer (1.73 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V+4.50+ and three B3- atoms. Both B–B bond lengths are 1.76 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V+4.50+ and two equivalent B3- atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1313048
• Report Number(s): mp-9208
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-V
V2B3
crystal structure