U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YInCo2 by Materials Project
Abstract
Co2YIn crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Y–Co bond distances ranging from 2.65–3.09 Å. There are four shorter (3.23 Å) and two longer (3.31 Å) Y–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Y, six Co, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing CoY4In2Co6 cuboctahedra. There are four shorter (2.45 Å) and two longer (2.49 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.78 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Y, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.71 Å. In is bonded in a 12-coordinate geometry to six equivalent Y, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.30 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1079716
- 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; YInCo2; Co-In-Y
- OSTI Identifier:
- 1679846
- DOI:
- https://doi.org/10.17188/1679846
Citation Formats
The Materials Project. Materials Data on YInCo2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679846.
The Materials Project. Materials Data on YInCo2 by Materials Project. United States. doi:https://doi.org/10.17188/1679846
The Materials Project. 2020.
"Materials Data on YInCo2 by Materials Project". United States. doi:https://doi.org/10.17188/1679846. https://www.osti.gov/servlets/purl/1679846. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679846,
title = {Materials Data on YInCo2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2YIn crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to seven Co and six equivalent In atoms. There are a spread of Y–Co bond distances ranging from 2.65–3.09 Å. There are four shorter (3.23 Å) and two longer (3.31 Å) Y–In bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Y, six Co, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing CoY4In2Co6 cuboctahedra. There are four shorter (2.45 Å) and two longer (2.49 Å) Co–Co bond lengths. Both Co–In bond lengths are 2.78 Å. In the second Co site, Co is bonded in a 3-coordinate geometry to three equivalent Y, four equivalent Co, and two equivalent In atoms. Both Co–In bond lengths are 2.71 Å. In is bonded in a 12-coordinate geometry to six equivalent Y, four Co, and two equivalent In atoms. Both In–In bond lengths are 3.30 Å.},
doi = {10.17188/1679846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}