Materials Data on LaCeCo10 by Materials Project

Dataset · Thu Jun 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1740889· OSTI ID:1740889

CeLaCo10 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a distorted hexagonal planar geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.74–3.17 Å. La is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of La–Co bond distances ranging from 2.90–3.19 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, two equivalent La, and eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.43–2.83 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ce, one La, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.41–2.67 Å. In the third Co site, Co is bonded to four equivalent Ce and eight Co atoms to form CoCe4Co8 cuboctahedra that share corners with sixteen CoLa2Ce2Co8 cuboctahedra, edges with ten CoLa2Ce2Co8 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. All Co–Co bond lengths are 2.45 Å. In the fourth Co site, Co is bonded to four equivalent La and eight Co atoms to form CoLa4Co8 cuboctahedra that share corners with sixteen CoLa2Ce2Co8 cuboctahedra, edges with ten CoLa2Ce2Co8 cuboctahedra, and faces with ten CoLa4Co8 cuboctahedra. All Co–Co bond lengths are 2.49 Å. In the fifth Co site, Co is bonded to two equivalent Ce, two equivalent La, and eight Co atoms to form CoLa2Ce2Co8 cuboctahedra that share corners with sixteen CoCe4Co8 cuboctahedra, edges with ten CoLa2Ce2Co8 cuboctahedra, and faces with ten CoCe4Co8 cuboctahedra. There are one shorter (2.46 Å) and one longer (2.47 Å) Co–Co bond lengths.

• 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: 1740889
• Report Number(s): mp-1223000
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Co-La
LaCeCo10
crystal structure