Title: Materials Data on Er3Ru by Materials Project

Abstract

Er3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ru atoms. There are a spread of Er–Ru bond distances ranging from 2.83–3.18 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.74 Å) and one longer (2.78 Å) Er–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to eight Er atoms.

Publication Date:
Other Number(s):
mp-1189274
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Er-Ru; Er3Ru
OSTI Identifier:
1717673
DOI:
https://doi.org/10.17188/1717673

Citation Formats

Materials Data on Er3Ru by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1717673.
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Materials Data on Er3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1717673
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2019. "Materials Data on Er3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1717673. https://www.osti.gov/servlets/purl/1717673. Pub date:Thu Jan 10 19:00:00 EST 2019
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@article{osti_1717673,
title = {Materials Data on Er3Ru by Materials Project},
abstractNote = {Er3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Ru atoms. There are a spread of Er–Ru bond distances ranging from 2.83–3.18 Å. In the second Er site, Er is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.74 Å) and one longer (2.78 Å) Er–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to eight Er atoms.},
doi = {10.17188/1717673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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DOI: https://doi.org/10.17188/1717673
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