U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PSe by Materials Project
Abstract
PSe crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four PSe ribbons oriented in the (0, 1, 0) direction. there are four inequivalent P sites. In the first P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. The P–P bond length is 2.21 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) P–Se bond lengths. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. Both P–Se bond lengths are 2.31 Å. In the third P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. The P–P bond length is 2.21 Å. Both P–Se bond lengths are 2.28 Å. In the fourth P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. Both P–Se bond lengths are 2.31 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in an L-shaped geometry to two P atoms. In the second Se site, Se is bonded in a water-like geometry to twomore »
- Publication Date:
- Other Number(s):
- mp-28885
- 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; PSe; crystal structure
- OSTI Identifier:
- 1202963
- DOI:
- https://doi.org/10.17188/1202963
Citation Formats
Materials Data on PSe by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202963.
Materials Data on PSe by Materials Project. United States. doi:https://doi.org/10.17188/1202963
2020.
"Materials Data on PSe by Materials Project". United States. doi:https://doi.org/10.17188/1202963. https://www.osti.gov/servlets/purl/1202963. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1202963,
title = {Materials Data on PSe by Materials Project},
abstractNote = {PSe crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four PSe ribbons oriented in the (0, 1, 0) direction. there are four inequivalent P sites. In the first P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. The P–P bond length is 2.21 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) P–Se bond lengths. In the second P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. Both P–Se bond lengths are 2.31 Å. In the third P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. The P–P bond length is 2.21 Å. Both P–Se bond lengths are 2.28 Å. In the fourth P site, P is bonded in a distorted trigonal non-coplanar geometry to one P and two Se atoms. Both P–Se bond lengths are 2.31 Å. There are four inequivalent Se sites. In the first Se site, Se is bonded in an L-shaped geometry to two P atoms. In the second Se site, Se is bonded in a water-like geometry to two P atoms. In the third Se site, Se is bonded in a water-like geometry to two P atoms. In the fourth Se site, Se is bonded in a water-like geometry to two P atoms.},
doi = {10.17188/1202963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}