Materials Data on B4C by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1272880· OSTI ID:1272880

The Materials Project

B4C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to two B and one C atom. Both B–B bond lengths are 1.71 Å. The B–C bond length is 1.64 Å. In the second B site, B is bonded in a 5-coordinate geometry to five B atoms. There is two shorter (1.77 Å) and two longer (1.79 Å) B–B bond length. There are two inequivalent C sites. In the first C site, C is bonded to three equivalent B and one C atom to form distorted corner-sharing CB3C tetrahedra. The C–C bond length is 1.31 Å. In the second C site, C is bonded in a linear geometry to two equivalent C 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: 1272880
• Report Number(s): mp-571655
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
B4C
B-C