U.S. Department of EnergyOffice of Scientific and Technical Information
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°.
- Publication Date:
- Other Number(s):
- mp-1205712
- 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; C-Ru-Si-Y; YSiRu2C; crystal structure
- OSTI Identifier:
- 1681624
- DOI:
- https://doi.org/10.17188/1681624
Citation Formats
Materials Data on YSiRu2C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681624.
Materials Data on YSiRu2C by Materials Project. United States. doi:https://doi.org/10.17188/1681624
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 04:00:00 UTC 2020
@article{osti_1681624,
title = {Materials Data on YSiRu2C by 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}
}