Materials Data on TbB2C by Materials Project

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

DOI:https://doi.org/10.17188/1191336· OSTI ID:1191336

The Materials Project

TbB2C crystallizes in the tetragonal P4_2/mbc space group. The structure is three-dimensional. Tb4+ is bonded in a distorted see-saw-like geometry to four equivalent C4- atoms. There are two shorter (2.62 Å) and two longer (2.63 Å) Tb–C bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a distorted water-like geometry to one B and two equivalent C4- atoms. The B–B bond length is 1.76 Å. Both B–C bond lengths are 1.63 Å. In the second B site, B is bonded in a distorted single-bond geometry to one B and one C4- atom. The B–C bond length is 1.59 Å. C4- is bonded in a 7-coordinate geometry to four equivalent Tb4+ and three B 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: 1191336
• Report Number(s): mp-15707
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TbB2C
B-C-Tb