Materials Data on Nd3Co13B2 by Materials Project
Nd3Co13B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.25 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Nd–Co bond lengths are 2.92 Å. All Nd–B bond lengths are 2.93 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to four Nd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.46 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded to four equivalent Nd and eight Co atoms to form a mixture of edge, face, and corner-sharing CoNd4Co8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.54 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.
- 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:
- 1208284
- Report Number(s):
- mp-4603
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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