U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaAs2Au by Materials Project
Abstract
LaAuAs2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.09 Å) and four longer (3.21 Å) La–As bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.09 Å) and four longer (3.21 Å) La–As bond lengths. Au3+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing AuAs4 tetrahedra. All Au–As bond lengths are 2.77 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms. In the third As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the fourth As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent As3-more »
- Publication Date:
- Other Number(s):
- mp-1025531
- 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-Au-La; LaAs2Au; crystal structure
- OSTI Identifier:
- 1355344
- DOI:
- https://doi.org/10.17188/1355344
Citation Formats
Materials Data on LaAs2Au by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355344.
Materials Data on LaAs2Au by Materials Project. United States. doi:https://doi.org/10.17188/1355344
2020.
"Materials Data on LaAs2Au by Materials Project". United States. doi:https://doi.org/10.17188/1355344. https://www.osti.gov/servlets/purl/1355344. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1355344,
title = {Materials Data on LaAs2Au by Materials Project},
abstractNote = {LaAuAs2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.09 Å) and four longer (3.21 Å) La–As bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.09 Å) and four longer (3.21 Å) La–As bond lengths. Au3+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing AuAs4 tetrahedra. All Au–As bond lengths are 2.77 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms. In the third As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the fourth As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent As3- atoms. In the fifth As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the sixth As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent As3- atoms.},
doi = {10.17188/1355344},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}