Materials Data on B13C2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1276602· OSTI ID:1276602

The Materials Project

B13C2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent B sites. In the first B site, B is bonded in a linear geometry to two equivalent C atoms. Both B–C bond lengths are 1.44 Å. In the second B site, B is bonded in a single-bond geometry to three equivalent B and one C atom. There is one shorter (1.79 Å) and two longer (1.82 Å) B–B bond length. The B–C bond length is 1.61 Å. In the third B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. C is bonded to four B atoms to form corner-sharing CB4 trigonal pyramids.

• 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: 1276602
• Report Number(s): mp-576
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
B13C2
B-C