U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P4SO7 by Materials Project
Abstract
P4SO7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two P4SO7 clusters. there are four inequivalent P4+ sites. In the first P4+ site, P4+ is bonded to one S2- and three O2- atoms to form distorted corner-sharing PSO3 tetrahedra. The P–S bond length is 1.88 Å. There is two shorter (1.62 Å) and one longer (1.65 Å) P–O bond length. In the second P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.65–1.70 Å. In the third P4+ site, P4+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.46–1.62 Å. In the fourth P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.66–1.70 Å. S2- is bonded in a single-bond geometry to one P4+ atom. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P4+ atom. In the second O2- site, O2- is bonded in a bent 120more »
- Publication Date:
- Other Number(s):
- mp-29081
- 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; P4SO7; crystal structure
- OSTI Identifier:
- 1203153
- DOI:
- https://doi.org/10.17188/1203153
Citation Formats
Materials Data on P4SO7 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1203153.
Materials Data on P4SO7 by Materials Project. United States. doi:https://doi.org/10.17188/1203153
2017.
"Materials Data on P4SO7 by Materials Project". United States. doi:https://doi.org/10.17188/1203153. https://www.osti.gov/servlets/purl/1203153. Pub date:Tue Jul 18 04:00:00 UTC 2017
@article{osti_1203153,
title = {Materials Data on P4SO7 by Materials Project},
abstractNote = {P4SO7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two P4SO7 clusters. there are four inequivalent P4+ sites. In the first P4+ site, P4+ is bonded to one S2- and three O2- atoms to form distorted corner-sharing PSO3 tetrahedra. The P–S bond length is 1.88 Å. There is two shorter (1.62 Å) and one longer (1.65 Å) P–O bond length. In the second P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.65–1.70 Å. In the third P4+ site, P4+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.46–1.62 Å. In the fourth P4+ site, P4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.66–1.70 Å. S2- is bonded in a single-bond geometry to one P4+ atom. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P4+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P4+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two P4+ atoms.},
doi = {10.17188/1203153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}