Materials Data on P4Se3I2 by Materials Project
Abstract
P4Se3I2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 3,5-diiodo-2,6,7-triselena-1,3,4,5-tetraphosphabicyclo[2.2.1]heptane molecules. there are three inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one I1- atom. The P–Se bond length is 2.30 Å. The P–I bond length is 2.50 Å. In the second P2+ site, P2+ is bonded in a single-bond geometry to one Se2- atom. The P–Se bond length is 2.27 Å. In the third P2+ site, P2+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.26 Å) and two 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 an L-shaped geometry to two P2+ atoms. I1- is bonded in a single-bond geometry to one P2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-653559
- 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; P4Se3I2; I-P-Se
- OSTI Identifier:
- 1281223
- DOI:
- https://doi.org/10.17188/1281223
Citation Formats
The Materials Project. Materials Data on P4Se3I2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281223.
The Materials Project. Materials Data on P4Se3I2 by Materials Project. United States. doi:https://doi.org/10.17188/1281223
The Materials Project. 2020.
"Materials Data on P4Se3I2 by Materials Project". United States. doi:https://doi.org/10.17188/1281223. https://www.osti.gov/servlets/purl/1281223. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281223,
title = {Materials Data on P4Se3I2 by Materials Project},
author = {The Materials Project},
abstractNote = {P4Se3I2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 3,5-diiodo-2,6,7-triselena-1,3,4,5-tetraphosphabicyclo[2.2.1]heptane molecules. there are three inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a water-like geometry to one Se2- and one I1- atom. The P–Se bond length is 2.30 Å. The P–I bond length is 2.50 Å. In the second P2+ site, P2+ is bonded in a single-bond geometry to one Se2- atom. The P–Se bond length is 2.27 Å. In the third P2+ site, P2+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.26 Å) and two 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 an L-shaped geometry to two P2+ atoms. I1- is bonded in a single-bond geometry to one P2+ atom.},
doi = {10.17188/1281223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}