U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YCuAs2 by Materials Project
Abstract
YCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.94 Å) and four longer (3.06 Å) Y–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.52 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent As2- atoms. All As–As bond lengths are 2.76 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Cu1+ atoms.
- Publication Date:
- Other Number(s):
- mp-10991
- 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; As-Cu-Y; YCuAs2; crystal structure
- OSTI Identifier:
- 1187502
- DOI:
- https://doi.org/10.17188/1187502
Citation Formats
Materials Data on YCuAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187502.
Materials Data on YCuAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1187502
2020.
"Materials Data on YCuAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1187502. https://www.osti.gov/servlets/purl/1187502. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187502,
title = {Materials Data on YCuAs2 by Materials Project},
abstractNote = {YCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.94 Å) and four longer (3.06 Å) Y–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.52 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent As2- atoms. All As–As bond lengths are 2.76 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1187502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.