U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2PdF4 by Materials Project
Abstract
Na2PdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing NaF6 octahedra. The corner-sharing octahedra tilt angles range from 64–68°. There are a spread of Na–F bond distances ranging from 2.29–2.49 Å. Pd2+ is bonded in a square co-planar geometry to four F1- atoms. All Pd–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Na1+ and one Pd2+ atom to form a mixture of distorted edge and corner-sharing FNa3Pd trigonal pyramids. In the second F1- site, F1- is bonded to three equivalent Na1+ and one Pd2+ atom to form a mixture of edge and corner-sharing FNa3Pd tetrahedra.
- Publication Date:
- Other Number(s):
- mp-3622
- 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; crystal structure; F-Na-Pd; Na2PdF4
- OSTI Identifier:
- 1207147
- DOI:
- https://doi.org/10.17188/1207147
Citation Formats
Materials Data on Na2PdF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207147.
Materials Data on Na2PdF4 by Materials Project. United States. doi:https://doi.org/10.17188/1207147
2020.
"Materials Data on Na2PdF4 by Materials Project". United States. doi:https://doi.org/10.17188/1207147. https://www.osti.gov/servlets/purl/1207147. Pub date:Fri May 08 20:00:00 EDT 2020
@article{osti_1207147,
title = {Materials Data on Na2PdF4 by Materials Project},
abstractNote = {Na2PdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing NaF6 octahedra. The corner-sharing octahedra tilt angles range from 64–68°. There are a spread of Na–F bond distances ranging from 2.29–2.49 Å. Pd2+ is bonded in a square co-planar geometry to four F1- atoms. All Pd–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Na1+ and one Pd2+ atom to form a mixture of distorted edge and corner-sharing FNa3Pd trigonal pyramids. In the second F1- site, F1- is bonded to three equivalent Na1+ and one Pd2+ atom to form a mixture of edge and corner-sharing FNa3Pd tetrahedra.},
doi = {10.17188/1207147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}