Materials Data on La2Zn5Sn by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1758866· OSTI ID:1758866

La2Zn5Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of La–Zn bond distances ranging from 3.19–3.34 Å. Both La–Sn bond lengths are 3.41 Å. In the second La site, La is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of La–Zn bond distances ranging from 3.27–3.67 Å. All La–Sn bond lengths are 3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four La and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.98 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five La, four Zn, and one Sn atom. The Zn–Zn bond length is 2.58 Å. The Zn–Sn bond length is 2.73 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five La, six Zn, and one Sn atom. The Zn–Sn bond length is 2.67 Å. Sn is bonded in a 9-coordinate geometry to six La and three Zn 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: 1758866
• Report Number(s): mp-1205365
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Sn-Zn
La2Zn5Sn
crystal structure