U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P4Se3Br2 by Materials Project
Abstract
P4Se3Br2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight P4Se3Br2 clusters. there are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one Br1- atom. The P–Se bond length is 2.30 Å. The P–Br bond length is 2.29 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.26 Å) and one longer (2.29 Å) P–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two P2+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent P2+ atoms. Br1- is bonded in a single-bond geometry to one P2+ atom.
- Publication Date:
- Other Number(s):
- mp-1201169
- 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; Br-P-Se; P4Se3Br2; crystal structure
- OSTI Identifier:
- 1684593
- DOI:
- https://doi.org/10.17188/1684593
Citation Formats
Materials Data on P4Se3Br2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1684593.
Materials Data on P4Se3Br2 by Materials Project. United States. doi:https://doi.org/10.17188/1684593
2020.
"Materials Data on P4Se3Br2 by Materials Project". United States. doi:https://doi.org/10.17188/1684593. https://www.osti.gov/servlets/purl/1684593. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684593,
title = {Materials Data on P4Se3Br2 by Materials Project},
abstractNote = {P4Se3Br2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight P4Se3Br2 clusters. there are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one Br1- atom. The P–Se bond length is 2.30 Å. The P–Br bond length is 2.29 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two Se2- atoms. There are one shorter (2.26 Å) and one longer (2.29 Å) P–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two P2+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent P2+ atoms. Br1- is bonded in a single-bond geometry to one P2+ atom.},
doi = {10.17188/1684593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}