U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm5Si3NO12 by Materials Project
Abstract
Sm5Si3NO12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.77 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Sm–N bond length is 2.22 Å. There are a spread of Sm–O bond distances ranging from 2.42–2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. N3- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom.
- Publication Date:
- Other Number(s):
- mp-1208747
- 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; N-O-Si-Sm; Sm5Si3NO12; crystal structure
- OSTI Identifier:
- 1677317
- DOI:
- https://doi.org/10.17188/1677317
Citation Formats
Materials Data on Sm5Si3NO12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677317.
Materials Data on Sm5Si3NO12 by Materials Project. United States. doi:https://doi.org/10.17188/1677317
2020.
"Materials Data on Sm5Si3NO12 by Materials Project". United States. doi:https://doi.org/10.17188/1677317. https://www.osti.gov/servlets/purl/1677317. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1677317,
title = {Materials Data on Sm5Si3NO12 by Materials Project},
abstractNote = {Sm5Si3NO12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.77 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Sm–N bond length is 2.22 Å. There are a spread of Sm–O bond distances ranging from 2.42–2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. N3- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Sm3+ and one Si4+ atom.},
doi = {10.17188/1677317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 04:00:00 UTC 2020},
month = {Thu Apr 30 04:00:00 UTC 2020}
}