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Title: Materials Data on NdSi2Ru by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202745· OSTI ID:1202745

NdRuSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Nd–Si bond distances ranging from 3.02–3.30 Å. Ru5+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.37–2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Nd3+, four equivalent Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.56 Å. In the second Si4- site, Si4- is bonded in a 1-coordinate geometry to six equivalent Nd3+, one Ru5+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.52 Å.

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:
1202745
Report Number(s):
mp-28665
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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