Materials Data on La2Sn5 by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1725303· OSTI ID:1725303

La2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to two equivalent La and ten Sn atoms to form a mixture of distorted corner, edge, and face-sharing LaLa2Sn10 cuboctahedra. Both La–La bond lengths are 3.27 Å. There are a spread of La–Sn bond distances ranging from 3.37–3.54 Å. In the second La site, La is bonded in a 6-coordinate geometry to four Sn atoms. There are a spread of La–Sn bond distances ranging from 3.13–3.28 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent La and four Sn atoms. There are two shorter (3.27 Å) and two longer (3.31 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to two equivalent La and ten Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.08–3.47 Å. In the third Sn site, Sn is bonded in a 1-coordinate geometry to three La and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a distorted bent 120 degrees geometry to two equivalent La and two equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a hexagonal planar geometry to six Sn atoms. There are two shorter (3.27 Å) and four longer (3.34 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded in a linear geometry to two equivalent La and four 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: 1725303
• Report Number(s): mp-1182656
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Sn
La2Sn5
crystal structure