U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgPPd5 by Materials Project
Abstract
MgPd5P crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pd atoms to form a mixture of corner and face-sharing MgPd12 cuboctahedra. There are four shorter (2.79 Å) and eight longer (2.86 Å) Mg–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Mg atoms. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent P atoms. Both Pd–P bond lengths are 2.43 Å. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
- Publication Date:
- Other Number(s):
- mp-1025261
- 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; Mg-P-Pd; MgPPd5; crystal structure
- OSTI Identifier:
- 1355237
- DOI:
- https://doi.org/10.17188/1355237
Citation Formats
Materials Data on MgPPd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355237.
Materials Data on MgPPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1355237
2020.
"Materials Data on MgPPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1355237. https://www.osti.gov/servlets/purl/1355237. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1355237,
title = {Materials Data on MgPPd5 by Materials Project},
abstractNote = {MgPd5P crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pd atoms to form a mixture of corner and face-sharing MgPd12 cuboctahedra. There are four shorter (2.79 Å) and eight longer (2.86 Å) Mg–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Mg atoms. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent P atoms. Both Pd–P bond lengths are 2.43 Å. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},
doi = {10.17188/1355237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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