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Title: Materials Data on YTc2 by Materials Project

Abstract

YTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Tc atoms. There are nine shorter (3.16 Å) and three longer (3.17 Å) Y–Tc bond lengths. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Y and six equivalent Tc atoms to form a mixture of edge, face, and corner-sharing TcY6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc site, Tc is bonded to six equivalent Y and six Tc atoms to form a mixture of edge, face, and corner-sharing TcY6Tc6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.77 Å) Tc–Tc bond lengths.

Publication Date:
Other Number(s):
mp-1102030
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; YTc2; Tc-Y
OSTI Identifier:
1749757
DOI:
https://doi.org/10.17188/1749757

Citation Formats

The Materials Project. Materials Data on YTc2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749757.
The Materials Project. Materials Data on YTc2 by Materials Project. United States. doi:https://doi.org/10.17188/1749757
The Materials Project. 2020. "Materials Data on YTc2 by Materials Project". United States. doi:https://doi.org/10.17188/1749757. https://www.osti.gov/servlets/purl/1749757. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749757,
title = {Materials Data on YTc2 by Materials Project},
author = {The Materials Project},
abstractNote = {YTc2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Tc atoms. There are nine shorter (3.16 Å) and three longer (3.17 Å) Y–Tc bond lengths. There are two inequivalent Tc sites. In the first Tc site, Tc is bonded to six equivalent Y and six equivalent Tc atoms to form a mixture of edge, face, and corner-sharing TcY6Tc6 cuboctahedra. All Tc–Tc bond lengths are 2.74 Å. In the second Tc site, Tc is bonded to six equivalent Y and six Tc atoms to form a mixture of edge, face, and corner-sharing TcY6Tc6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.77 Å) Tc–Tc bond lengths.},
doi = {10.17188/1749757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}