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

Title: Materials Data on Pr4MgRh by Materials Project

Abstract

MgPr4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–Pr bond distances ranging from 3.45–3.68 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Pr–Rh bond lengths are 2.93 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Pr–Rh bond lengths are 2.94 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Pr–Rh bond lengths are 3.65 Å. Rh is bonded in a 6-coordinate geometry to nine Pr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1209444
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; Pr4MgRh; Mg-Pr-Rh
OSTI Identifier:
1689049
DOI:
https://doi.org/10.17188/1689049

Citation Formats

The Materials Project. Materials Data on Pr4MgRh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689049.
The Materials Project. Materials Data on Pr4MgRh by Materials Project. United States. doi:https://doi.org/10.17188/1689049
The Materials Project. 2020. "Materials Data on Pr4MgRh by Materials Project". United States. doi:https://doi.org/10.17188/1689049. https://www.osti.gov/servlets/purl/1689049. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1689049,
title = {Materials Data on Pr4MgRh by Materials Project},
author = {The Materials Project},
abstractNote = {MgPr4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Pr atoms to form a mixture of corner and face-sharing MgPr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–Pr bond distances ranging from 3.45–3.68 Å. There are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Rh atoms. All Pr–Rh bond lengths are 2.93 Å. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Rh atoms. Both Pr–Rh bond lengths are 2.94 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Rh atoms. Both Pr–Rh bond lengths are 3.65 Å. Rh is bonded in a 6-coordinate geometry to nine Pr atoms.},
doi = {10.17188/1689049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}