U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2Se3 by Materials Project
Abstract
Er2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.83–3.26 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.86 Å) and four longer (3.10 Å) Er–Se bond lengths. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.86–3.21 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Er3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeEr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Er3+ atoms. In the third Se2- site, Se2- is bonded to five Er3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeEr5 square pyramids.
- Publication Date:
- Other Number(s):
- mp-32736
- 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; Er-Se; Er2Se3; crystal structure
- OSTI Identifier:
- 1206365
- DOI:
- https://doi.org/10.17188/1206365
Citation Formats
Materials Data on Er2Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206365.
Materials Data on Er2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1206365
2020.
"Materials Data on Er2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1206365. https://www.osti.gov/servlets/purl/1206365. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1206365,
title = {Materials Data on Er2Se3 by Materials Project},
abstractNote = {Er2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.83–3.26 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.86 Å) and four longer (3.10 Å) Er–Se bond lengths. In the third Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Er–Se bond distances ranging from 2.86–3.21 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Er3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeEr5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Er3+ atoms. In the third Se2- site, Se2- is bonded to five Er3+ atoms to form a mixture of distorted edge, corner, and face-sharing SeEr5 square pyramids.},
doi = {10.17188/1206365},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}