Materials Data on Nd2CoSn4 by Materials Project

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

DOI:https://doi.org/10.17188/1676588· OSTI ID:1676588

Nd2CoSn4 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 3.29–3.45 Å. In the second Nd site, Nd is bonded in a 4-coordinate geometry to four equivalent Co and ten Sn atoms. All Nd–Co bond lengths are 3.59 Å. There are a spread of Nd–Sn bond distances ranging from 3.35–3.67 Å. Co is bonded in a 5-coordinate geometry to four equivalent Nd and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.48–2.52 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to four Nd and two equivalent Co atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Nd and two equivalent Co atoms. In the third Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two 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: 1676588
• Report Number(s): mp-1220521
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Nd-Sn
Nd2CoSn4
crystal structure