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Title: Materials Data on NdSi3Rh by Materials Project

Abstract

NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.

Publication Date:
Other Number(s):
mp-1070321
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdSi3Rh; Nd-Rh-Si
OSTI Identifier:
1678056
DOI:
https://doi.org/10.17188/1678056

Citation Formats

The Materials Project. Materials Data on NdSi3Rh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678056.
The Materials Project. Materials Data on NdSi3Rh by Materials Project. United States. doi:https://doi.org/10.17188/1678056
The Materials Project. 2020. "Materials Data on NdSi3Rh by Materials Project". United States. doi:https://doi.org/10.17188/1678056. https://www.osti.gov/servlets/purl/1678056. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678056,
title = {Materials Data on NdSi3Rh by Materials Project},
author = {The Materials Project},
abstractNote = {NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.},
doi = {10.17188/1678056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}