Materials Data on NdIn4Ni by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1722348· OSTI ID:1722348

NdNiIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen In atoms. Both Nd–Ni bond lengths are 3.44 Å. There are a spread of Nd–In bond distances ranging from 3.24–3.70 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Nd and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.55–2.77 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Nd and six In atoms. There are four shorter (3.15 Å) and two longer (3.18 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent Nd, one Ni, and four equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to three equivalent Nd, three equivalent Ni, and one In atom.

• 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: 1722348
• Report Number(s): mp-1103113
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Nd-Ni
NdIn4Ni
crystal structure