U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na6H2Pd(S2O7)2 by Materials Project
Abstract
Pd(Na3HS2O7)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of eight palladium molecules and one Na3HS2O7 framework. In the Na3HS2O7 framework, there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.41–2.78 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.94 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.53 Å. 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 S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51more »
- Publication Date:
- Other Number(s):
- mp-707021
- 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-Pd-S; Na6H2Pd(S2O7)2; crystal structure
- OSTI Identifier:
- 1286288
- DOI:
- https://doi.org/10.17188/1286288
Citation Formats
Materials Data on Na6H2Pd(S2O7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1286288.
Materials Data on Na6H2Pd(S2O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1286288
2020.
"Materials Data on Na6H2Pd(S2O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1286288. https://www.osti.gov/servlets/purl/1286288. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1286288,
title = {Materials Data on Na6H2Pd(S2O7)2 by Materials Project},
abstractNote = {Pd(Na3HS2O7)2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional and consists of eight palladium molecules and one Na3HS2O7 framework. In the Na3HS2O7 framework, there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted edge-sharing NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.41–2.78 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.94 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.53 Å. 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 S4+ sites. In the first S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. In the second S4+ site, S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one S4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to three Na1+ and one S4+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one S4+ atom. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to two Na1+ and one S4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one H1+ atom.},
doi = {10.17188/1286288},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}