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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1221166
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; Na4H8PdPt; H-Na-Pd-Pt
OSTI Identifier:
1676289
DOI:
https://doi.org/10.17188/1676289

Citation Formats

The Materials Project. Materials Data on Na4H8PdPt by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1676289.
The Materials Project. Materials Data on Na4H8PdPt by Materials Project. United States. doi:https://doi.org/10.17188/1676289
The Materials Project. 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 00:00:00 EST 2019
@article{osti_1676289,
title = {Materials Data on Na4H8PdPt by Materials Project},
author = {The 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}
}