U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMg4Cu by Materials Project
Abstract
YMg4Cu crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to eleven Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.14–3.28 Å. In the second Mg site, Mg is bonded in a distorted water-like geometry to one Mg and two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.69 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to four Mg and one Cu atom. Both Mg–Mg bond lengths are 3.11 Å. The Mg–Cu bond length is 2.83 Å. In the fourth Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one Cu atom. The Mg–Cu bond length is 2.83 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. In the sixth Mg site, Mg is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Mg–Cu bond lengths are 2.98 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to four equivalent Cumore »
- Publication Date:
- Other Number(s):
- mp-570765
- 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; Cu-Mg-Y; YMg4Cu; crystal structure
- OSTI Identifier:
- 1275895
- DOI:
- https://doi.org/10.17188/1275895
Citation Formats
Materials Data on YMg4Cu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275895.
Materials Data on YMg4Cu by Materials Project. United States. doi:https://doi.org/10.17188/1275895
2020.
"Materials Data on YMg4Cu by Materials Project". United States. doi:https://doi.org/10.17188/1275895. https://www.osti.gov/servlets/purl/1275895. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275895,
title = {Materials Data on YMg4Cu by Materials Project},
abstractNote = {YMg4Cu crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to eleven Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.14–3.28 Å. In the second Mg site, Mg is bonded in a distorted water-like geometry to one Mg and two equivalent Cu atoms. Both Mg–Cu bond lengths are 2.69 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to four Mg and one Cu atom. Both Mg–Mg bond lengths are 3.11 Å. The Mg–Cu bond length is 2.83 Å. In the fourth Mg site, Mg is bonded in a distorted single-bond geometry to two equivalent Mg and one Cu atom. The Mg–Cu bond length is 2.83 Å. In the fifth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. In the sixth Mg site, Mg is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Mg–Cu bond lengths are 2.98 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to four equivalent Cu atoms. All Y–Cu bond lengths are 2.96 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four equivalent Cu atoms. All Y–Cu bond lengths are 2.97 Å. Cu is bonded in a 9-coordinate geometry to five Mg and four Y atoms.},
doi = {10.17188/1275895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}