Materials Data on LaY(B2Rh3)2 by Materials Project

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

DOI:https://doi.org/10.17188/1697504· OSTI ID:1697504

LaY(Rh3B2)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve Rh, and six B atoms. Both La–La bond lengths are 3.13 Å. There are four shorter (3.17 Å) and eight longer (3.21 Å) La–Rh bond lengths. All La–B bond lengths are 3.18 Å. Y is bonded in a 12-coordinate geometry to two equivalent Y, twelve Rh, and six B atoms. Both Y–Y bond lengths are 3.13 Å. There are eight shorter (3.13 Å) and four longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.17 Å) and two longer (3.18 Å) Y–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Y 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 2.23 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent La, two equivalent Y, and four B atoms. There are two shorter (2.23 Å) and two longer (2.24 Å) Rh–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one La, two equivalent Y, and six Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent La, one Y, 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: 1697504
• Report Number(s): mp-1222811
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-La-Rh-Y
LaY(B2Rh3)2
crystal structure