Materials Data on La2Zn5Pb by Materials Project

Dataset · Thu Jul 19 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1726964· OSTI ID:1726964

La2Zn5Pb 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 2-coordinate geometry to thirteen Zn and two equivalent Pb atoms. There are a spread of La–Zn bond distances ranging from 3.17–3.33 Å. Both La–Pb bond lengths are 3.46 Å. In the second La site, La is bonded in a 6-coordinate geometry to ten Zn and four equivalent Pb atoms. There are a spread of La–Zn bond distances ranging from 3.31–3.72 Å. All La–Pb bond lengths are 3.39 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 distorted single-bond geometry to five La, three equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.81 Å. In the third Zn site, Zn is bonded in a distorted single-bond geometry to five La, four equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.74 Å. Pb is bonded in a 3-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: 1726964
• Report Number(s): mp-1105849
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Pb-Zn
La2Zn5Pb
crystal structure