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Title: Materials Data on NdAu3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314714· OSTI ID:1314714

NdAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.06 Å) and six longer (3.53 Å) Nd–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Nd3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuNd4Au4 tetrahedra. All Au–Au bond lengths are 3.06 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Nd3+ and eight equivalent Au1- 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:
1314714
Report Number(s):
mp-975073
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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