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Title: Materials Data on Mg(P2Rh3)2 by Materials Project

Abstract

Mg(Rh3P2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing MgP6Rh6 cuboctahedra. All Mg–Rh bond lengths are 2.95 Å. All Mg–P bond lengths are 2.91 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and four P atoms. There are two shorter (2.33 Å) and two longer (2.49 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.47 Å) and one longer (2.48 Å) Rh–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent Mg and six Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Rh atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10440
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; Mg(P2Rh3)2; Mg-P-Rh
OSTI Identifier:
1187122
DOI:
10.17188/1187122

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg(P2Rh3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187122.
Persson, Kristin, & Project, Materials. Materials Data on Mg(P2Rh3)2 by Materials Project. United States. doi:10.17188/1187122.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg(P2Rh3)2 by Materials Project". United States. doi:10.17188/1187122. https://www.osti.gov/servlets/purl/1187122. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187122,
title = {Materials Data on Mg(P2Rh3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg(Rh3P2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing MgP6Rh6 cuboctahedra. All Mg–Rh bond lengths are 2.95 Å. All Mg–P bond lengths are 2.91 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Mg and four P atoms. There are two shorter (2.33 Å) and two longer (2.49 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.47 Å) and one longer (2.48 Å) Rh–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent Mg and six Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Rh atoms.},
doi = {10.17188/1187122},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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