U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba(SbPd)2 by Materials Project
Abstract
BaPd2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.64 Å) and four longer (3.68 Å) Ba–Sb bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.76 Å. In the second Pd2+ site, Pd2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. All Pd–Sb bond lengths are 2.75 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Pd2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Ba2+ and five Pd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1079967
- 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; Ba(SbPd)2; Ba-Pd-Sb; crystal structure
- OSTI Identifier:
- 1683646
- DOI:
- https://doi.org/10.17188/1683646
Citation Formats
Materials Data on Ba(SbPd)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1683646.
Materials Data on Ba(SbPd)2 by Materials Project. United States. doi:https://doi.org/10.17188/1683646
2020.
"Materials Data on Ba(SbPd)2 by Materials Project". United States. doi:https://doi.org/10.17188/1683646. https://www.osti.gov/servlets/purl/1683646. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683646,
title = {Materials Data on Ba(SbPd)2 by Materials Project},
abstractNote = {BaPd2Sb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.64 Å) and four longer (3.68 Å) Ba–Sb bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing PdSb4 tetrahedra. All Pd–Sb bond lengths are 2.76 Å. In the second Pd2+ site, Pd2+ is bonded in a 5-coordinate geometry to five Sb3- atoms. All Pd–Sb bond lengths are 2.75 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Pd2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to four equivalent Ba2+ and five Pd2+ atoms.},
doi = {10.17188/1683646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}