U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbPd3 by Materials Project
Abstract
NbPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to twelve Pd atoms to form NbPd12 cuboctahedra that share corners with four equivalent NbPd12 cuboctahedra, corners with eight equivalent PdNb4Pd8 cuboctahedra, edges with eight equivalent NbPd12 cuboctahedra, edges with sixteen equivalent PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. There are four shorter (2.79 Å) and eight longer (2.83 Å) Nb–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Nb and eight equivalent Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent PdNb4Pd8 cuboctahedra, corners with eight equivalent NbPd12 cuboctahedra, edges with twenty-four PdNb4Pd8 cuboctahedra, faces with six equivalent NbPd12 cuboctahedra, and faces with twelve PdNb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to four equivalent Nb and eight Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with twelve equivalent PdNb4Pd8 cuboctahedra, edges with eight equivalent NbPd12 cuboctahedra, edges with sixteen PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. All Pd–Pdmore »
- Publication Date:
- Other Number(s):
- mp-1135
- 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; Nb-Pd; NbPd3; crystal structure
- OSTI Identifier:
- 1187754
- DOI:
- https://doi.org/10.17188/1187754
Citation Formats
Materials Data on NbPd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187754.
Materials Data on NbPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1187754
2020.
"Materials Data on NbPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1187754. https://www.osti.gov/servlets/purl/1187754. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187754,
title = {Materials Data on NbPd3 by Materials Project},
abstractNote = {NbPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to twelve Pd atoms to form NbPd12 cuboctahedra that share corners with four equivalent NbPd12 cuboctahedra, corners with eight equivalent PdNb4Pd8 cuboctahedra, edges with eight equivalent NbPd12 cuboctahedra, edges with sixteen equivalent PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. There are four shorter (2.79 Å) and eight longer (2.83 Å) Nb–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Nb and eight equivalent Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with four equivalent PdNb4Pd8 cuboctahedra, corners with eight equivalent NbPd12 cuboctahedra, edges with twenty-four PdNb4Pd8 cuboctahedra, faces with six equivalent NbPd12 cuboctahedra, and faces with twelve PdNb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to four equivalent Nb and eight Pd atoms to form distorted PdNb4Pd8 cuboctahedra that share corners with twelve equivalent PdNb4Pd8 cuboctahedra, edges with eight equivalent NbPd12 cuboctahedra, edges with sixteen PdNb4Pd8 cuboctahedra, faces with four equivalent NbPd12 cuboctahedra, and faces with fourteen PdNb4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å.},
doi = {10.17188/1187754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}