U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na4H8PdPt by Materials Project
Abstract
Na4PtPdH8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight H+0.50- atoms. There are four shorter (2.53 Å) and four longer (2.54 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight H+0.50- atoms. There are six shorter (2.53 Å) and two longer (2.54 Å) Na–H bond lengths. Pt2- is bonded in a square co-planar geometry to four equivalent H+0.50- atoms. All Pt–H bond lengths are 1.66 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent H+0.50- atoms. All Pd–H bond lengths are 1.65 Å. There are two inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded to four Na1+ and one Pd2+ atom to form a mixture of corner, edge, and face-sharing HNa4Pd square pyramids. In the second H+0.50- site, H+0.50- is bonded to four Na1+ and one Pt2- atom to form HNa4Pt square pyramids that share corners with thirteen HNa4Pd square pyramids, edges with six HNa4Pd square pyramids, and faces with two equivalent HNa4Pt square pyramids.
- Publication Date:
- Other Number(s):
- mp-1221166
- 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-Pd-Pt; Na4H8PdPt; crystal structure
- OSTI Identifier:
- 1676289
- DOI:
- https://doi.org/10.17188/1676289
Citation Formats
Materials Data on Na4H8PdPt by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676289.
Materials Data on Na4H8PdPt by Materials Project. United States. doi:https://doi.org/10.17188/1676289
2019.
"Materials Data on Na4H8PdPt by Materials Project". United States. doi:https://doi.org/10.17188/1676289. https://www.osti.gov/servlets/purl/1676289. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1676289,
title = {Materials Data on Na4H8PdPt by Materials Project},
abstractNote = {Na4PtPdH8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight H+0.50- atoms. There are four shorter (2.53 Å) and four longer (2.54 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight H+0.50- atoms. There are six shorter (2.53 Å) and two longer (2.54 Å) Na–H bond lengths. Pt2- is bonded in a square co-planar geometry to four equivalent H+0.50- atoms. All Pt–H bond lengths are 1.66 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent H+0.50- atoms. All Pd–H bond lengths are 1.65 Å. There are two inequivalent H+0.50- sites. In the first H+0.50- site, H+0.50- is bonded to four Na1+ and one Pd2+ atom to form a mixture of corner, edge, and face-sharing HNa4Pd square pyramids. In the second H+0.50- site, H+0.50- is bonded to four Na1+ and one Pt2- atom to form HNa4Pt square pyramids that share corners with thirteen HNa4Pd square pyramids, edges with six HNa4Pd square pyramids, and faces with two equivalent HNa4Pt square pyramids.},
doi = {10.17188/1676289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}