U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2H4Pd by Materials Project
Abstract
Na2PdH4 crystallizes in the tetragonal I4/mmm 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 equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. H1- is bonded to four Na1+ and one Pd2+ atom to form a mixture of edge, corner, and face-sharing HNa4Pd square pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-643260
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Na2H4Pd; H-Na-Pd
- OSTI Identifier:
- 1280279
- DOI:
- https://doi.org/10.17188/1280279
Citation Formats
The Materials Project. Materials Data on Na2H4Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280279.
The Materials Project. Materials Data on Na2H4Pd by Materials Project. United States. doi:https://doi.org/10.17188/1280279
The Materials Project. 2020.
"Materials Data on Na2H4Pd by Materials Project". United States. doi:https://doi.org/10.17188/1280279. https://www.osti.gov/servlets/purl/1280279. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280279,
title = {Materials Data on Na2H4Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PdH4 crystallizes in the tetragonal I4/mmm 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 equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. H1- is bonded to four Na1+ and one Pd2+ atom to form a mixture of edge, corner, and face-sharing HNa4Pd square pyramids.},
doi = {10.17188/1280279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}