U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2S2O by Materials Project
Abstract
Sm2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Sm–S bond distances ranging from 2.82–2.99 Å. The Sm–O bond length is 2.32 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.20 Å. There are a spread of Sm–O bond distances ranging from 2.32–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-8993
- 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; O-S-Sm; Sm2S2O; crystal structure
- OSTI Identifier:
- 1312908
- DOI:
- https://doi.org/10.17188/1312908
Citation Formats
Materials Data on Sm2S2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312908.
Materials Data on Sm2S2O by Materials Project. United States. doi:https://doi.org/10.17188/1312908
2020.
"Materials Data on Sm2S2O by Materials Project". United States. doi:https://doi.org/10.17188/1312908. https://www.osti.gov/servlets/purl/1312908. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1312908,
title = {Materials Data on Sm2S2O by Materials Project},
abstractNote = {Sm2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Sm–S bond distances ranging from 2.82–2.99 Å. The Sm–O bond length is 2.32 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Sm–S bond distances ranging from 2.85–3.20 Å. There are a spread of Sm–O bond distances ranging from 2.32–2.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Sm3+ atoms. O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.},
doi = {10.17188/1312908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}