Materials Data on Nd4Sn8Ir by Materials Project

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

DOI:https://doi.org/10.17188/1724905· OSTI ID:1724905

Nd4IrSn8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four 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 3.27–3.58 Å. In the second 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 3.26–3.43 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Sn atoms. All Nd–Ir bond lengths are 3.51 Å. There are a spread of Nd–Sn bond distances ranging from 3.40–3.82 Å. In the fourth 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 3.28–3.59 Å. Ir is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.58–2.65 Å. There are eight inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Ir, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Nd, two equivalent Ir, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to four Nd and four equivalent Sn atoms. In the fifth Sn site, Sn is bonded in a 1-coordinate geometry to six Nd, one Ir, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.96 Å. In the sixth Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.05 Å. In the seventh Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two equivalent Sn atoms. In the eighth 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: 1724905
• Report Number(s): mp-1220633
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ir-Nd-Sn
Nd4Sn8Ir
crystal structure