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Title: Materials Data on NaRu3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315509· OSTI ID:1315509

NaRu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Ru atoms to form a mixture of edge, corner, and face-sharing NaRu12 cuboctahedra. There are four shorter (2.74 Å) and eight longer (2.76 Å) Na–Ru bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Na atoms to form a mixture of distorted edge and corner-sharing RuNa4 cuboctahedra. In the second Ru site, Ru is bonded in a distorted square co-planar geometry to four equivalent Na 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:
1315509
Report Number(s):
mp-977128
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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