U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y(GaCo)6 by Materials Project
Abstract
Y(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.19 Å) and eight longer (3.23 Å) Y–Co bond lengths. There are a spread of Y–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoY2Ga6Co4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.46–2.61 Å. In the second Co site, Co is bonded to two equivalent Y, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoY2Ga6Co4 cuboctahedra. There are a spread of Co–Ga bond distances ranging from 2.52–2.66 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Y, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.86 Å. In the second Ga site, Ga ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207723
- 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; Y(GaCo)6; Co-Ga-Y
- OSTI Identifier:
- 1690499
- DOI:
- https://doi.org/10.17188/1690499
Citation Formats
The Materials Project. Materials Data on Y(GaCo)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1690499.
The Materials Project. Materials Data on Y(GaCo)6 by Materials Project. United States. doi:https://doi.org/10.17188/1690499
The Materials Project. 2019.
"Materials Data on Y(GaCo)6 by Materials Project". United States. doi:https://doi.org/10.17188/1690499. https://www.osti.gov/servlets/purl/1690499. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1690499,
title = {Materials Data on Y(GaCo)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.19 Å) and eight longer (3.23 Å) Y–Co bond lengths. There are a spread of Y–Ga bond distances ranging from 2.80–3.00 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoY2Ga6Co4 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.52 Å) Co–Co bond lengths. There are a spread of Co–Ga bond distances ranging from 2.46–2.61 Å. In the second Co site, Co is bonded to two equivalent Y, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoY2Ga6Co4 cuboctahedra. There are a spread of Co–Ga bond distances ranging from 2.52–2.66 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Y, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.86 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Y, six Co, and one Ga atom. The Ga–Ga bond length is 2.61 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to one Y, six Co, and three Ga atoms. The Ga–Ga bond length is 2.66 Å.},
doi = {10.17188/1690499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}