Materials Data on LaCe(SnRu)2 by Materials Project

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

DOI:https://doi.org/10.17188/1652663· OSTI ID:1652663

CeLa(RuSn)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Ce is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and seven Sn atoms. There are one shorter (2.57 Å) and one longer (2.66 Å) Ce–Ru bond lengths. There are a spread of Ce–Sn bond distances ranging from 3.47–3.59 Å. La is bonded in a distorted bent 150 degrees geometry to two equivalent Ru and seven Sn atoms. Both La–Ru bond lengths are 2.66 Å. There are a spread of La–Sn bond distances ranging from 3.46–3.58 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 2-coordinate geometry to two equivalent Ce and three Sn atoms. There are two shorter (2.68 Å) and one longer (2.88 Å) Ru–Sn bond lengths. In the second Ru site, Ru is bonded in a 2-coordinate geometry to two equivalent La and three Sn atoms. There are two shorter (2.71 Å) and one longer (2.79 Å) Ru–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent La, three Ru, and two equivalent Sn atoms. There are one shorter (3.12 Å) and one longer (3.35 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Ce, three equivalent La, three Ru, and two equivalent Sn 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: 1652663
• Report Number(s): mp-1223031
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-La-Ru-Sn
LaCe(SnRu)2
crystal structure