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Title: Materials Data on ErRu3C by Materials Project

Abstract

ErRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form ErRu12 cuboctahedra that share corners with twelve equivalent ErRu12 cuboctahedra, faces with six equivalent ErRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Er–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Er and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RuEr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent ErRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1206911
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; ErRu3C; C-Er-Ru
OSTI Identifier:
1708347
DOI:
https://doi.org/10.17188/1708347

Citation Formats

The Materials Project. Materials Data on ErRu3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708347.
The Materials Project. Materials Data on ErRu3C by Materials Project. United States. doi:https://doi.org/10.17188/1708347
The Materials Project. 2020. "Materials Data on ErRu3C by Materials Project". United States. doi:https://doi.org/10.17188/1708347. https://www.osti.gov/servlets/purl/1708347. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708347,
title = {Materials Data on ErRu3C by Materials Project},
author = {The Materials Project},
abstractNote = {ErRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Ru atoms to form ErRu12 cuboctahedra that share corners with twelve equivalent ErRu12 cuboctahedra, faces with six equivalent ErRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Er–Ru bond lengths are 2.93 Å. Ru is bonded to four equivalent Er and two equivalent C atoms to form a mixture of distorted face, edge, and corner-sharing RuEr4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent ErRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1708347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}