U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb5(PPd)4 by Materials Project
Abstract
Nb5Pd4P4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent P atoms. There are a spread of Nb–Pd bond distances ranging from 2.90–3.07 Å. There are a spread of Nb–P bond distances ranging from 2.59–3.00 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.62 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent P atoms. There are four shorter (2.87 Å) and one longer (3.14 Å) Pd–Pd bond lengths. There are two shorter (2.38 Å) and one longer (2.49 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.
- Publication Date:
- Other Number(s):
- mp-10388
- 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-P-Pd; Nb5(PPd)4; crystal structure
- OSTI Identifier:
- 1187083
- DOI:
- https://doi.org/10.17188/1187083
Citation Formats
Materials Data on Nb5(PPd)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187083.
Materials Data on Nb5(PPd)4 by Materials Project. United States. doi:https://doi.org/10.17188/1187083
2020.
"Materials Data on Nb5(PPd)4 by Materials Project". United States. doi:https://doi.org/10.17188/1187083. https://www.osti.gov/servlets/purl/1187083. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187083,
title = {Materials Data on Nb5(PPd)4 by Materials Project},
abstractNote = {Nb5Pd4P4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent P atoms. There are a spread of Nb–Pd bond distances ranging from 2.90–3.07 Å. There are a spread of Nb–P bond distances ranging from 2.59–3.00 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.62 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent P atoms. There are four shorter (2.87 Å) and one longer (3.14 Å) Pd–Pd bond lengths. There are two shorter (2.38 Å) and one longer (2.49 Å) Pd–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.},
doi = {10.17188/1187083},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 04:00:00 UTC 2020},
month = {Thu Jul 16 04:00:00 UTC 2020}
}