U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2S3 by Materials Project
Abstract
Y2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.73–3.20 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.76–3.01 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.77–3.08 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Y3+ atoms. In the second S2- site, S2- is bonded to five Y3+ atoms to form a mixture of distorted edge, face, and corner-sharing SY5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Y3+ atoms to form a mixture of distorted edge, face, and corner-sharing SY5 square pyramids.
- Publication Date:
- Other Number(s):
- mp-32891
- 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; S-Y; Y2S3; crystal structure
- OSTI Identifier:
- 1206431
- DOI:
- https://doi.org/10.17188/1206431
Citation Formats
Materials Data on Y2S3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206431.
Materials Data on Y2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1206431
2020.
"Materials Data on Y2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1206431. https://www.osti.gov/servlets/purl/1206431. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206431,
title = {Materials Data on Y2S3 by Materials Project},
abstractNote = {Y2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.73–3.20 Å. In the second Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.76–3.01 Å. In the third Y3+ site, Y3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Y–S bond distances ranging from 2.77–3.08 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Y3+ atoms. In the second S2- site, S2- is bonded to five Y3+ atoms to form a mixture of distorted edge, face, and corner-sharing SY5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Y3+ atoms to form a mixture of distorted edge, face, and corner-sharing SY5 square pyramids.},
doi = {10.17188/1206431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}