Materials Data on B2Mo by Materials Project

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

DOI:https://doi.org/10.17188/1199416· OSTI ID:1199416

The Materials Project

MoB2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo6+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Mo–B bond distances ranging from 2.22–2.38 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Mo6+ and three equivalent B3- atoms. All B–B bond lengths are 1.75 Å. In the second B3- site, B3- is bonded in a 7-coordinate geometry to four equivalent Mo6+ and three equivalent B3- atoms. All B–B bond lengths are 1.86 Å.

• 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: 1199416
• Report Number(s): mp-2331
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
B2Mo
B-Mo