U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn3Pd5 by Materials Project
Abstract
Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight Pd atoms. There are four shorter (2.62 Å) and four longer (2.75 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.73–2.79 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd is bonded in a 12-coordinate geometry to six Mn atoms. In the third Pd site, Pd is bonded in a 6-coordinate geometry to six Mn atoms.
- Publication Date:
- Other Number(s):
- mp-1078895
- 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; Mn-Pd; Mn3Pd5; crystal structure
- OSTI Identifier:
- 1751148
- DOI:
- https://doi.org/10.17188/1751148
Citation Formats
Materials Data on Mn3Pd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751148.
Materials Data on Mn3Pd5 by Materials Project. United States. doi:https://doi.org/10.17188/1751148
2020.
"Materials Data on Mn3Pd5 by Materials Project". United States. doi:https://doi.org/10.17188/1751148. https://www.osti.gov/servlets/purl/1751148. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751148,
title = {Materials Data on Mn3Pd5 by Materials Project},
abstractNote = {Mn3Pd5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a body-centered cubic geometry to eight Pd atoms. There are four shorter (2.62 Å) and four longer (2.75 Å) Mn–Pd bond lengths. In the second Mn site, Mn is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Mn–Pd bond distances ranging from 2.73–2.79 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn atoms to form distorted edge-sharing PdMn4 cuboctahedra. In the second Pd site, Pd is bonded in a 12-coordinate geometry to six Mn atoms. In the third Pd site, Pd is bonded in a 6-coordinate geometry to six Mn atoms.},
doi = {10.17188/1751148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}