U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3SbH18S4O9 by Materials Project
Abstract
Na3SbH18S4O9 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are three shorter (2.41 Å) and three longer (2.44 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted face-sharing NaO6 octahedra. There are three shorter (2.42 Å) and three longer (2.45 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent S2- and three equivalent O2- atoms. All Na–S bond lengths are 3.06 Å. All Na–O bond lengths are 2.37 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. All Sb–S bond lengths are 2.37 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to onemore »
- Publication Date:
- Other Number(s):
- mp-24440
- 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; H-Na-O-S-Sb; Na3SbH18S4O9; crystal structure
- OSTI Identifier:
- 1200099
- DOI:
- https://doi.org/10.17188/1200099
Citation Formats
Materials Data on Na3SbH18S4O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200099.
Materials Data on Na3SbH18S4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1200099
2020.
"Materials Data on Na3SbH18S4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1200099. https://www.osti.gov/servlets/purl/1200099. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1200099,
title = {Materials Data on Na3SbH18S4O9 by Materials Project},
abstractNote = {Na3SbH18S4O9 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form face-sharing NaO6 octahedra. There are three shorter (2.41 Å) and three longer (2.44 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted face-sharing NaO6 octahedra. There are three shorter (2.42 Å) and three longer (2.45 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to three equivalent S2- and three equivalent O2- atoms. All Na–S bond lengths are 3.06 Å. All Na–O bond lengths are 2.37 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. All Sb–S bond lengths are 2.37 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one Sb5+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Na1+ and one Sb5+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two Na1+ and two H1+ atoms.},
doi = {10.17188/1200099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}