DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nd4Rh by Materials Project

Abstract

Nd4Rh crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Nd6Rh cluster and one Nd3Rh sheet oriented in the (0, 1, 0) direction. In the Nd6Rh cluster, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.94 Å. In the second Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. In the third Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.89 Å. In the fourth Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms. In the Nd3Rh sheet, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.89 Å) and one longer (2.95 Å) Nd–Rh bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150more » degrees geometry to two equivalent Rh atoms. There are one shorter (2.88 Å) and one longer (2.96 Å) Nd–Rh bond lengths. In the third Nd site, Nd is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.92 Å. In the fourth Nd site, Nd is bonded in a water-like geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.91 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1220520
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd4Rh; Nd-Rh
OSTI Identifier:
1758405
DOI:
https://doi.org/10.17188/1758405

Citation Formats

The Materials Project. Materials Data on Nd4Rh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758405.
The Materials Project. Materials Data on Nd4Rh by Materials Project. United States. doi:https://doi.org/10.17188/1758405
The Materials Project. 2020. "Materials Data on Nd4Rh by Materials Project". United States. doi:https://doi.org/10.17188/1758405. https://www.osti.gov/servlets/purl/1758405. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758405,
title = {Materials Data on Nd4Rh by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4Rh crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one Nd6Rh cluster and one Nd3Rh sheet oriented in the (0, 1, 0) direction. In the Nd6Rh cluster, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.94 Å. In the second Nd site, Nd is bonded in a single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. In the third Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.89 Å. In the fourth Nd site, Nd is bonded in a distorted single-bond geometry to one Rh atom. The Nd–Rh bond length is 2.90 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms. In the Nd3Rh sheet, there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.89 Å) and one longer (2.95 Å) Nd–Rh bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.88 Å) and one longer (2.96 Å) Nd–Rh bond lengths. In the third Nd site, Nd is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.92 Å. In the fourth Nd site, Nd is bonded in a water-like geometry to two equivalent Rh atoms. Both Nd–Rh bond lengths are 2.91 Å. Rh is bonded in a 6-coordinate geometry to six Nd atoms.},
doi = {10.17188/1758405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}