U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er5Ga2As by Materials Project
Abstract
Er5Ga2As crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to four Ga and two equivalent As atoms. There are a spread of Er–Ga bond distances ranging from 3.02–3.06 Å. There are one shorter (3.06 Å) and one longer (3.08 Å) Er–As bond lengths. In the second Er site, Er is bonded in a 3-coordinate geometry to three Ga and two equivalent As atoms. There are one shorter (2.91 Å) and two longer (3.47 Å) Er–Ga bond lengths. There are one shorter (2.92 Å) and one longer (3.09 Å) Er–As bond lengths. In the third Er site, Er is bonded in a 3-coordinate geometry to three Ga and two equivalent As atoms. There are one shorter (3.02 Å) and two longer (3.47 Å) Er–Ga bond lengths. Both Er–As bond lengths are 2.89 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to three Ga and two equivalent As atoms. There are a spread of Er–Ga bond distances ranging from 2.92–3.06 Å. Both Er–As bond lengths are 3.46 Å. In the fifth Er site, Er is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1225757
- 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-Er-Ga; Er5Ga2As; crystal structure
- OSTI Identifier:
- 1707629
- DOI:
- https://doi.org/10.17188/1707629
Citation Formats
Materials Data on Er5Ga2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707629.
Materials Data on Er5Ga2As by Materials Project. United States. doi:https://doi.org/10.17188/1707629
2020.
"Materials Data on Er5Ga2As by Materials Project". United States. doi:https://doi.org/10.17188/1707629. https://www.osti.gov/servlets/purl/1707629. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1707629,
title = {Materials Data on Er5Ga2As by Materials Project},
abstractNote = {Er5Ga2As crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to four Ga and two equivalent As atoms. There are a spread of Er–Ga bond distances ranging from 3.02–3.06 Å. There are one shorter (3.06 Å) and one longer (3.08 Å) Er–As bond lengths. In the second Er site, Er is bonded in a 3-coordinate geometry to three Ga and two equivalent As atoms. There are one shorter (2.91 Å) and two longer (3.47 Å) Er–Ga bond lengths. There are one shorter (2.92 Å) and one longer (3.09 Å) Er–As bond lengths. In the third Er site, Er is bonded in a 3-coordinate geometry to three Ga and two equivalent As atoms. There are one shorter (3.02 Å) and two longer (3.47 Å) Er–Ga bond lengths. Both Er–As bond lengths are 2.89 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to three Ga and two equivalent As atoms. There are a spread of Er–Ga bond distances ranging from 2.92–3.06 Å. Both Er–As bond lengths are 3.46 Å. In the fifth Er site, Er is bonded in a 3-coordinate geometry to five Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.93–3.48 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. As is bonded in a 9-coordinate geometry to nine Er atoms.},
doi = {10.17188/1707629},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}