DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ErPRu2C by Materials Project

Abstract

ErRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Er–C bond lengths are 2.62 Å. There are one shorter (3.07 Å) and two longer (3.11 Å) Er–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.86 Å. There are one shorter (2.41 Å) and two longer (2.45 Å) Ru–P bond lengths. C4- is bonded to four equivalent Er3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1205587
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; ErPRu2C; C-Er-P-Ru
OSTI Identifier:
1687922
DOI:
https://doi.org/10.17188/1687922

Citation Formats

The Materials Project. Materials Data on ErPRu2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687922.
The Materials Project. Materials Data on ErPRu2C by Materials Project. United States. doi:https://doi.org/10.17188/1687922
The Materials Project. 2020. "Materials Data on ErPRu2C by Materials Project". United States. doi:https://doi.org/10.17188/1687922. https://www.osti.gov/servlets/purl/1687922. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687922,
title = {Materials Data on ErPRu2C by Materials Project},
author = {The Materials Project},
abstractNote = {ErRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Er–C bond lengths are 2.62 Å. There are one shorter (3.07 Å) and two longer (3.11 Å) Er–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.86 Å. There are one shorter (2.41 Å) and two longer (2.45 Å) Ru–P bond lengths. C4- is bonded to four equivalent Er3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru2+ atoms.},
doi = {10.17188/1687922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}