Materials Data on La4(CoB2)3 by Materials Project

Dataset · Wed Jul 18 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1695418· OSTI ID:1695418

(La2CoB3)2Co crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two cobalt molecules and one La2CoB3 sheet oriented in the (0, 0, 1) direction. In the La2CoB3 sheet, there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.75 Å) and four longer (2.76 Å) La–B bond lengths. In the second La3+ site, La3+ is bonded in a 6-coordinate geometry to six B3- atoms. All La–B bond lengths are 2.75 Å. Co2+ is bonded in a 6-coordinate geometry to six B3- atoms. There are four shorter (2.13 Å) and two longer (2.14 Å) Co–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four La3+, two equivalent Co2+, and three B3- atoms. There is two shorter (1.78 Å) and one longer (1.79 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four La3+, two equivalent Co2+, and three B3- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) B–B bond length.

• 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: 1695418
• Report Number(s): mp-1104122
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Co-La
La4(CoB2)3
crystal structure