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Title: Materials Data on NbRh by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1273820· OSTI ID:1273820

NbRh is Tetraauricupride-like structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to eight Rh atoms. There are a spread of Nb–Rh bond distances ranging from 2.76–2.88 Å. In the second Nb site, Nb is bonded to eight Rh atoms to form a mixture of distorted edge, corner, and face-sharing NbRh8 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.84 Å) Nb–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Nb atoms to form a mixture of distorted edge, corner, and face-sharing RhNb8 cuboctahedra. In the second Rh site, Rh is bonded in a 12-coordinate geometry to eight Nb 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:
1273820
Report Number(s):
mp-567345
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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