U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P4(S2O)3 by Materials Project
Abstract
P4(S2O)3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two P4(S2O)3 clusters. there are three inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded to two S2- and two O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.09 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.14 Å. In the third P+4.50+ site, P+4.50+ is bonded to two S2- and two equivalent O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.08 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry tomore »
- Publication Date:
- Other Number(s):
- mp-29204
- 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; O-P-S; P4(S2O)3; crystal structure
- OSTI Identifier:
- 1203577
- DOI:
- https://doi.org/10.17188/1203577
Citation Formats
Materials Data on P4(S2O)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203577.
Materials Data on P4(S2O)3 by Materials Project. United States. doi:https://doi.org/10.17188/1203577
2020.
"Materials Data on P4(S2O)3 by Materials Project". United States. doi:https://doi.org/10.17188/1203577. https://www.osti.gov/servlets/purl/1203577. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203577,
title = {Materials Data on P4(S2O)3 by Materials Project},
abstractNote = {P4(S2O)3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two P4(S2O)3 clusters. there are three inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded to two S2- and two O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.09 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.14 Å. In the third P+4.50+ site, P+4.50+ is bonded to two S2- and two equivalent O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.08 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.50+ atoms.},
doi = {10.17188/1203577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}