Materials Data on SnPS3 by Materials Project
Abstract
SnPS3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three SnPS3 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded to six equivalent S2- atoms to form edge-sharing SnS6 octahedra. There are three shorter (2.95 Å) and three longer (2.99 Å) Sn–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.05 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Sn2+ and one P4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1079752
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SnPS3; P-S-Sn
- OSTI Identifier:
- 1663578
- DOI:
- https://doi.org/10.17188/1663578
Citation Formats
The Materials Project. Materials Data on SnPS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1663578.
The Materials Project. Materials Data on SnPS3 by Materials Project. United States. doi:https://doi.org/10.17188/1663578
The Materials Project. 2020.
"Materials Data on SnPS3 by Materials Project". United States. doi:https://doi.org/10.17188/1663578. https://www.osti.gov/servlets/purl/1663578. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1663578,
title = {Materials Data on SnPS3 by Materials Project},
author = {The Materials Project},
abstractNote = {SnPS3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three SnPS3 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded to six equivalent S2- atoms to form edge-sharing SnS6 octahedra. There are three shorter (2.95 Å) and three longer (2.99 Å) Sn–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.05 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Sn2+ and one P4+ atom.},
doi = {10.17188/1663578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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