U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb5(AsPd)4 by Materials Project
Abstract
Nb5Pd4As4 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 As atoms. There are a spread of Nb–Pd bond distances ranging from 2.98–3.12 Å. There are a spread of Nb–As bond distances ranging from 2.66–2.99 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent As atoms. All Nb–As bond lengths are 2.68 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent As atoms. There are four shorter (2.92 Å) and one longer (3.13 Å) Pd–Pd bond lengths. There are two shorter (2.47 Å) and one longer (2.54 Å) Pd–As bond lengths. As is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-7221
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Nb5(AsPd)4; As-Nb-Pd
- OSTI Identifier:
- 1287424
- DOI:
- https://doi.org/10.17188/1287424
Citation Formats
The Materials Project. Materials Data on Nb5(AsPd)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287424.
The Materials Project. Materials Data on Nb5(AsPd)4 by Materials Project. United States. doi:https://doi.org/10.17188/1287424
The Materials Project. 2020.
"Materials Data on Nb5(AsPd)4 by Materials Project". United States. doi:https://doi.org/10.17188/1287424. https://www.osti.gov/servlets/purl/1287424. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287424,
title = {Materials Data on Nb5(AsPd)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb5Pd4As4 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 As atoms. There are a spread of Nb–Pd bond distances ranging from 2.98–3.12 Å. There are a spread of Nb–As bond distances ranging from 2.66–2.99 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent As atoms. All Nb–As bond lengths are 2.68 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent As atoms. There are four shorter (2.92 Å) and one longer (3.13 Å) Pd–Pd bond lengths. There are two shorter (2.47 Å) and one longer (2.54 Å) Pd–As bond lengths. As is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.},
doi = {10.17188/1287424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}