U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaYb(Pd3O4)2 by Materials Project
Abstract
NaYb(Pd3O4)2 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.57 Å. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Yb–O bond lengths are 2.43 Å. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. All Pd–O bond lengths are 2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids. In the second O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids. All O–Pd bond lengths are 2.05 Å. In the third O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids. All O–Pd bond lengths are 2.05 Å. In the fourth O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edgemore »
- Publication Date:
- Other Number(s):
- mp-1209950
- 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; Na-O-Pd-Yb; NaYb(Pd3O4)2; crystal structure
- OSTI Identifier:
- 1698747
- DOI:
- https://doi.org/10.17188/1698747
Citation Formats
Materials Data on NaYb(Pd3O4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698747.
Materials Data on NaYb(Pd3O4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1698747
2020.
"Materials Data on NaYb(Pd3O4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1698747. https://www.osti.gov/servlets/purl/1698747. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1698747,
title = {Materials Data on NaYb(Pd3O4)2 by Materials Project},
abstractNote = {NaYb(Pd3O4)2 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Na–O bond lengths are 2.57 Å. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Yb–O bond lengths are 2.43 Å. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. All Pd–O bond lengths are 2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids. In the second O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids. All O–Pd bond lengths are 2.05 Å. In the third O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids. All O–Pd bond lengths are 2.05 Å. In the fourth O2- site, O2- is bonded to one Na1+, one Yb3+, and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing ONaYbPd3 trigonal bipyramids.},
doi = {10.17188/1698747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}