U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErGa2Co3 by Materials Project
Abstract
ErCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Er–Co bond lengths are 2.83 Å. All Er–Ga bond lengths are 3.41 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.01 Å) and six longer (3.21 Å) Er–Co bond lengths. All Er–Ga bond lengths are 3.06 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Er, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoEr4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.46 Å. All Co–Ga bond lengths are 2.53 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Er, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.41 Å. Ga is bonded in a 12-coordinate geometry to four Er, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.81 Å.
- Publication Date:
- Other Number(s):
- mp-1189735
- 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; Co-Er-Ga; ErGa2Co3; crystal structure
- OSTI Identifier:
- 1717225
- DOI:
- https://doi.org/10.17188/1717225
Citation Formats
Materials Data on ErGa2Co3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717225.
Materials Data on ErGa2Co3 by Materials Project. United States. doi:https://doi.org/10.17188/1717225
2019.
"Materials Data on ErGa2Co3 by Materials Project". United States. doi:https://doi.org/10.17188/1717225. https://www.osti.gov/servlets/purl/1717225. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1717225,
title = {Materials Data on ErGa2Co3 by Materials Project},
abstractNote = {ErCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Er–Co bond lengths are 2.83 Å. All Er–Ga bond lengths are 3.41 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.01 Å) and six longer (3.21 Å) Er–Co bond lengths. All Er–Ga bond lengths are 3.06 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Er, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoEr4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.46 Å. All Co–Ga bond lengths are 2.53 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Er, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.41 Å. Ga is bonded in a 12-coordinate geometry to four Er, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.81 Å.},
doi = {10.17188/1717225},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}