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Title: Materials Data on ErSiRu2C by Materials Project

Abstract

ErRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.10 Å) and two longer (3.11 Å) Er–Si bond lengths. All Er–C bond lengths are 2.65 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted corner and edge-sharing RuSi3C tetrahedra. There are two shorter (2.46 Å) and one longer (2.48 Å) Ru–Si bond lengths. The Ru–C bond length is 1.87 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Er3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.

Authors:
Publication Date:
Other Number(s):
mp-1205505
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; ErSiRu2C; C-Er-Ru-Si
OSTI Identifier:
1746335
DOI:
https://doi.org/10.17188/1746335

Citation Formats

The Materials Project. Materials Data on ErSiRu2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746335.
The Materials Project. Materials Data on ErSiRu2C by Materials Project. United States. doi:https://doi.org/10.17188/1746335
The Materials Project. 2020. "Materials Data on ErSiRu2C by Materials Project". United States. doi:https://doi.org/10.17188/1746335. https://www.osti.gov/servlets/purl/1746335. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1746335,
title = {Materials Data on ErSiRu2C by Materials Project},
author = {The Materials Project},
abstractNote = {ErRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.10 Å) and two longer (3.11 Å) Er–Si bond lengths. All Er–C bond lengths are 2.65 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted corner and edge-sharing RuSi3C tetrahedra. There are two shorter (2.46 Å) and one longer (2.48 Å) Ru–Si bond lengths. The Ru–C bond length is 1.87 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Er3+ and two equivalent Ru+2.50+ atoms to form a mixture of corner and edge-sharing CEr4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.},
doi = {10.17188/1746335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}