U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSm(PS3)2 by Materials Project
Abstract
NaSmP2S6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Na–S bond distances ranging from 2.99–3.42 Å. Sm3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sm–S bond distances ranging from 2.91–3.40 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.00–2.04 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.03–2.06 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Sm3+, and one P4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Sm3+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sm3+, and one P4+ atom. In the fourth S2- site, S2-more »
- Publication Date:
- Other Number(s):
- mp-561232
- 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; Na-P-S-Sm; NaSm(PS3)2; crystal structure
- OSTI Identifier:
- 1271922
- DOI:
- https://doi.org/10.17188/1271922
Citation Formats
Materials Data on NaSm(PS3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271922.
Materials Data on NaSm(PS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271922
2020.
"Materials Data on NaSm(PS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271922. https://www.osti.gov/servlets/purl/1271922. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1271922,
title = {Materials Data on NaSm(PS3)2 by Materials Project},
abstractNote = {NaSmP2S6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Na–S bond distances ranging from 2.99–3.42 Å. Sm3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sm–S bond distances ranging from 2.91–3.40 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.00–2.04 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.03–2.06 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, two equivalent Sm3+, and one P4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Na1+, one Sm3+, and one P4+ atom. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sm3+, and one P4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Sm3+, and one P4+ atom. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one P4+ atom. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Sm3+, and one P4+ atom.},
doi = {10.17188/1271922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 04:00:00 UTC 2020},
month = {Wed Jul 15 04:00:00 UTC 2020}
}