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Title: Materials Data on YRe2SiC by Materials Project

Abstract

YRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.13 Å) Y–Si bond lengths. All Y–C bond lengths are 2.74 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.49 Å) and two longer (2.50 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Re atoms. C is bonded to four equivalent Y and two equivalent Re atoms to form a mixture of corner and edge-sharing CY4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.

Authors:
Publication Date:
Other Number(s):
mp-1205734
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; YRe2SiC; C-Re-Si-Y
OSTI Identifier:
1718664
DOI:
https://doi.org/10.17188/1718664

Citation Formats

The Materials Project. Materials Data on YRe2SiC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718664.
The Materials Project. Materials Data on YRe2SiC by Materials Project. United States. doi:https://doi.org/10.17188/1718664
The Materials Project. 2020. "Materials Data on YRe2SiC by Materials Project". United States. doi:https://doi.org/10.17188/1718664. https://www.osti.gov/servlets/purl/1718664. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718664,
title = {Materials Data on YRe2SiC by Materials Project},
author = {The Materials Project},
abstractNote = {YRe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to three equivalent Si and four equivalent C atoms. There are one shorter (3.03 Å) and two longer (3.13 Å) Y–Si bond lengths. All Y–C bond lengths are 2.74 Å. Re is bonded in a single-bond geometry to three equivalent Si and one C atom. There are one shorter (2.49 Å) and two longer (2.50 Å) Re–Si bond lengths. The Re–C bond length is 1.95 Å. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Re atoms. C is bonded to four equivalent Y and two equivalent Re atoms to form a mixture of corner and edge-sharing CY4Re2 octahedra. The corner-sharing octahedral tilt angles are 20°.},
doi = {10.17188/1718664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}