Materials Data on Nd3Ni2Sn7 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1690481· OSTI ID:1690481

Nd3Ni2Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to two equivalent Ni and twelve Sn atoms. Both Nd–Ni bond lengths are 3.53 Å. There are a spread of Nd–Sn bond distances ranging from 3.29–3.40 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to four equivalent Ni and ten Sn atoms. All Nd–Ni bond lengths are 3.64 Å. There are a spread of Nd–Sn bond distances ranging from 3.42–3.52 Å. Ni is bonded in a 5-coordinate geometry to five Nd and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.58 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Nd atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Nd and two equivalent Ni atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Nd and two equivalent Ni atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.89 Å.

• 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: 1690481
• Report Number(s): mp-1101908
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Nd-Ni-Sn
Nd3Ni2Sn7
crystal structure