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Title: Materials Data on NdAl4Co by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189251· OSTI ID:1189251

NdCoAl4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to one Co and twelve Al atoms. The Nd–Co bond length is 2.98 Å. There are a spread of Nd–Al bond distances ranging from 3.10–3.27 Å. Co is bonded in a 9-coordinate geometry to one Nd and eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.30–2.57 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are four shorter (2.80 Å) and four longer (2.94 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are two shorter (2.73 Å) and two longer (3.04 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Nd, two equivalent Co, and six Al atoms. There are one shorter (2.76 Å) and one longer (2.95 Å) Al–Al bond lengths.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1189251
Report Number(s):
mp-12896
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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