Materials Data on LaCe(B2Rh3)2 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1689591· OSTI ID:1689591

CeLa(Rh3B2)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Ce, twelve Rh, and six B atoms. Both Ce–Ce bond lengths are 3.12 Å. There are eight shorter (3.15 Å) and four longer (3.18 Å) Ce–Rh bond lengths. All Ce–B bond lengths are 3.19 Å. La is bonded in a 12-coordinate geometry to two equivalent La, twelve Rh, and six B atoms. Both La–La bond lengths are 3.12 Å. There are four shorter (3.18 Å) and eight longer (3.20 Å) La–Rh bond lengths. All La–B bond lengths are 3.20 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Rh–B bond lengths are 2.24 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent Ce, two equivalent La, and four B atoms. All Rh–B bond lengths are 2.23 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one Ce, two equivalent La, and six Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent Ce, one La, and six Rh atoms.

• 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: 1689591
• Report Number(s): mp-1223015
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Ce-La-Rh
LaCe(B2Rh3)2
crystal structure