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Title: Materials Data on Er2P7Rh12 by Materials Project

Abstract

Er2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Er is bonded to six equivalent Rh and six equivalent P atoms to form distorted ErP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent ErP6Rh6 cuboctahedra. All Er–Rh bond lengths are 3.03 Å. There are three shorter (3.01 Å) and three longer (3.02 Å) Er–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to two equivalent Er and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.60 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent ErP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one ErP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in amore » 9-coordinate geometry to two equivalent Er and seven Rh atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1225638
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; Er2P7Rh12; Er-P-Rh
OSTI Identifier:
1731817
DOI:
https://doi.org/10.17188/1731817

Citation Formats

The Materials Project. Materials Data on Er2P7Rh12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731817.
The Materials Project. Materials Data on Er2P7Rh12 by Materials Project. United States. doi:https://doi.org/10.17188/1731817
The Materials Project. 2020. "Materials Data on Er2P7Rh12 by Materials Project". United States. doi:https://doi.org/10.17188/1731817. https://www.osti.gov/servlets/purl/1731817. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731817,
title = {Materials Data on Er2P7Rh12 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Er is bonded to six equivalent Rh and six equivalent P atoms to form distorted ErP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent ErP6Rh6 cuboctahedra. All Er–Rh bond lengths are 3.03 Å. There are three shorter (3.01 Å) and three longer (3.02 Å) Er–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 2-coordinate geometry to two equivalent Er and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.60 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent ErP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one ErP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.35–2.49 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Er and seven Rh atoms.},
doi = {10.17188/1731817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}