Materials Data on NdIn5Co by Materials Project

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

DOI:https://doi.org/10.17188/1748384· OSTI ID:1748384

NdCoIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd is bonded to twelve In atoms to form NdIn12 cuboctahedra that share corners with four equivalent NdIn12 cuboctahedra, faces with four equivalent NdIn12 cuboctahedra, and faces with four equivalent InNd4In8 cuboctahedra. There are four shorter (3.29 Å) and eight longer (3.30 Å) Nd–In bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Co–In bond lengths are 2.74 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Nd and eight equivalent In atoms to form distorted InNd4In8 cuboctahedra that share corners with four equivalent InNd4In8 cuboctahedra, faces with four equivalent NdIn12 cuboctahedra, and faces with four equivalent InNd4In8 cuboctahedra. All In–In bond lengths are 3.30 Å. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Nd, two equivalent Co, and seven In atoms. There are one shorter (2.91 Å) and four longer (3.29 Å) In–In bond lengths.

• 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: 1748384
• Report Number(s): mp-1078125
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-In-Nd
NdIn5Co
crystal structure