Materials Data on Nd2Sn4Pd by Materials Project

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

DOI:https://doi.org/10.17188/1719300· OSTI ID:1719300

Nd2PdSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.29–3.47 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Pd and ten Sn atoms. All Nd–Pd bond lengths are 3.50 Å. There are a spread of Nd–Sn bond distances ranging from 3.40–3.76 Å. Pd is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are one shorter (2.60 Å) and four longer (2.69 Å) Pd–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.93 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Pd, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Pd, 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: 1719300
• Report Number(s): mp-1220294
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Nd-Pd-Sn
Nd2Sn4Pd
crystal structure