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Title: Materials Data on Ce3(MgRh2)2 by Materials Project

Abstract

Ce3(MgRh2)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded to five Rh atoms to form a mixture of distorted face and corner-sharing MgRh5 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.62–3.27 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.28 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.83–3.13 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Mg, six Ce, and one Rh atom. The Rh–Rh bond length is 3.01 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to four equivalent Mg, three Ce, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.87 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Mg, six Ce, and four Rh atoms.

Authors:
Publication Date:
Other Number(s):
mp-1226900
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; Ce3(MgRh2)2; Ce-Mg-Rh
OSTI Identifier:
1689324
DOI:
https://doi.org/10.17188/1689324

Citation Formats

The Materials Project. Materials Data on Ce3(MgRh2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689324.
The Materials Project. Materials Data on Ce3(MgRh2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1689324
The Materials Project. 2020. "Materials Data on Ce3(MgRh2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1689324. https://www.osti.gov/servlets/purl/1689324. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689324,
title = {Materials Data on Ce3(MgRh2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3(MgRh2)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded to five Rh atoms to form a mixture of distorted face and corner-sharing MgRh5 tetrahedra. There are a spread of Mg–Rh bond distances ranging from 2.62–3.27 Å. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.28 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to seven Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.83–3.13 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Mg, six Ce, and one Rh atom. The Rh–Rh bond length is 3.01 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to four equivalent Mg, three Ce, and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.87 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Mg, six Ce, and four Rh atoms.},
doi = {10.17188/1689324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}