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Title: Materials Data on YSiRu2C by Materials Project

Abstract

YRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ 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 (3.12 Å) Y–Si bond lengths. All Y–C bond lengths are 2.67 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted edge and corner-sharing RuSi3C tetrahedra. There are two shorter (2.47 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 Y3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Y3+ and two equivalent Ru+2.50+ atoms to form a mixture of edge and corner-sharing CY4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.

Authors:
Publication Date:
Other Number(s):
mp-1205712
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; YSiRu2C; C-Ru-Si-Y
OSTI Identifier:
1681624
DOI:
https://doi.org/10.17188/1681624

Citation Formats

The Materials Project. Materials Data on YSiRu2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681624.
The Materials Project. Materials Data on YSiRu2C by Materials Project. United States. doi:https://doi.org/10.17188/1681624
The Materials Project. 2020. "Materials Data on YSiRu2C by Materials Project". United States. doi:https://doi.org/10.17188/1681624. https://www.osti.gov/servlets/purl/1681624. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681624,
title = {Materials Data on YSiRu2C by Materials Project},
author = {The Materials Project},
abstractNote = {YRu2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ 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 (3.12 Å) Y–Si bond lengths. All Y–C bond lengths are 2.67 Å. Ru+2.50+ is bonded to three equivalent Si4- and one C4- atom to form a mixture of distorted edge and corner-sharing RuSi3C tetrahedra. There are two shorter (2.47 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 Y3+ and six equivalent Ru+2.50+ atoms. C4- is bonded to four equivalent Y3+ and two equivalent Ru+2.50+ atoms to form a mixture of edge and corner-sharing CY4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°.},
doi = {10.17188/1681624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}