U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrP2S2O9 by Materials Project
Abstract
SrP2SO9S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one SrP2SO9 sheet oriented in the (1, 0, 1) direction. In the SrP2SO9 sheet, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.15 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.70 Å. S3+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+more »
- Publication Date:
- Other Number(s):
- mp-1179257
- 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-Sr; SrP2S2O9; crystal structure
- OSTI Identifier:
- 1700339
- DOI:
- https://doi.org/10.17188/1700339
Citation Formats
Materials Data on SrP2S2O9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700339.
Materials Data on SrP2S2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1700339
2019.
"Materials Data on SrP2S2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1700339. https://www.osti.gov/servlets/purl/1700339. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1700339,
title = {Materials Data on SrP2S2O9 by Materials Project},
abstractNote = {SrP2SO9S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one SrP2SO9 sheet oriented in the (1, 0, 1) direction. In the SrP2SO9 sheet, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–3.15 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.70 Å. S3+ is bonded in a single-bond geometry to one O2- atom. The S–O bond length is 1.54 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and one O2- atom. The O–O bond length is 1.36 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one S3+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to one Sr2+ and one O2- atom. The O–O bond length is 1.35 Å. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two O2- atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+ and one O2- atom. The O–O bond length is 1.23 Å.},
doi = {10.17188/1700339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}