U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnPSe3 by Materials Project
Abstract
SnPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn2+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.92–3.23 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.24 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P4+ atom. In the second Se2- site, Se2- is bonded in a distorted L-shaped geometry to one Sn2+ and one P4+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P4+ atom.
- Publication Date:
- Other Number(s):
- mp-5706
- 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; P-Se-Sn; SnPSe3; crystal structure
- OSTI Identifier:
- 1275808
- DOI:
- https://doi.org/10.17188/1275808
Citation Formats
Materials Data on SnPSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275808.
Materials Data on SnPSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1275808
2020.
"Materials Data on SnPSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1275808. https://www.osti.gov/servlets/purl/1275808. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275808,
title = {Materials Data on SnPSe3 by Materials Project},
abstractNote = {SnPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sn2+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.92–3.23 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.24 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P4+ atom. In the second Se2- site, Se2- is bonded in a distorted L-shaped geometry to one Sn2+ and one P4+ atom. In the third Se2- site, Se2- is bonded in a 1-coordinate geometry to two equivalent Sn2+ and one P4+ atom.},
doi = {10.17188/1275808},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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