Materials Data on Nd2Zn5Pb by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1651714· OSTI ID:1651714

Nd2Zn5Pb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to thirteen Zn and two equivalent Pb atoms. There are a spread of Nd–Zn bond distances ranging from 3.12–3.33 Å. Both Nd–Pb bond lengths are 3.38 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to ten Zn and four equivalent Pb atoms. There are a spread of Nd–Zn bond distances ranging from 3.25–3.68 Å. All Nd–Pb bond lengths are 3.33 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Nd and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.56–2.90 Å. In the second Zn site, Zn is bonded in a distorted single-bond geometry to five Nd, three equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.77 Å. In the third Zn site, Zn is bonded in a distorted single-bond geometry to five Nd, four equivalent Zn, and one Pb atom. The Zn–Pb bond length is 2.70 Å. Pb is bonded in a 9-coordinate geometry to six Nd 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: 1651714
• Report Number(s): mp-1189707
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Nd-Pb-Zn
Nd2Zn5Pb
crystal structure