U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2S3 by Materials Project
Abstract
Er2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing ErS7 pentagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.73–2.79 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.80–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five Er3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1106290
- 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-S; Er2S3; crystal structure
- OSTI Identifier:
- 1685617
- DOI:
- https://doi.org/10.17188/1685617
Citation Formats
Materials Data on Er2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685617.
Materials Data on Er2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1685617
2020.
"Materials Data on Er2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1685617. https://www.osti.gov/servlets/purl/1685617. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685617,
title = {Materials Data on Er2S3 by Materials Project},
abstractNote = {Er2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing ErS7 pentagonal bipyramids. There are a spread of Er–S bond distances ranging from 2.73–2.79 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Er–S bond distances ranging from 2.80–3.32 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Er3+ atoms to form a mixture of distorted edge and corner-sharing SEr5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five Er3+ atoms.},
doi = {10.17188/1685617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}