U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3Pa by Materials Project
Abstract
PaNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Nd atoms to form PaNd12 cuboctahedra that share corners with six equivalent PaNd12 cuboctahedra, corners with twelve equivalent NdNd8Pa4 cuboctahedra, edges with eighteen equivalent NdNd8Pa4 cuboctahedra, faces with eight equivalent PaNd12 cuboctahedra, and faces with twelve equivalent NdNd8Pa4 cuboctahedra. All Pa–Nd bond lengths are 3.56 Å. Nd is bonded to four equivalent Pa and eight equivalent Nd atoms to form distorted NdNd8Pa4 cuboctahedra that share corners with four equivalent PaNd12 cuboctahedra, corners with fourteen equivalent NdNd8Pa4 cuboctahedra, edges with six equivalent PaNd12 cuboctahedra, edges with twelve equivalent NdNd8Pa4 cuboctahedra, faces with four equivalent PaNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Pa4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.50–3.63 Å.
- Publication Date:
- Other Number(s):
- mp-1186285
- 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; Nd-Pa; Nd3Pa; crystal structure
- OSTI Identifier:
- 1719623
- DOI:
- https://doi.org/10.17188/1719623
Citation Formats
Materials Data on Nd3Pa by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719623.
Materials Data on Nd3Pa by Materials Project. United States. doi:https://doi.org/10.17188/1719623
2020.
"Materials Data on Nd3Pa by Materials Project". United States. doi:https://doi.org/10.17188/1719623. https://www.osti.gov/servlets/purl/1719623. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719623,
title = {Materials Data on Nd3Pa by Materials Project},
abstractNote = {PaNd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Nd atoms to form PaNd12 cuboctahedra that share corners with six equivalent PaNd12 cuboctahedra, corners with twelve equivalent NdNd8Pa4 cuboctahedra, edges with eighteen equivalent NdNd8Pa4 cuboctahedra, faces with eight equivalent PaNd12 cuboctahedra, and faces with twelve equivalent NdNd8Pa4 cuboctahedra. All Pa–Nd bond lengths are 3.56 Å. Nd is bonded to four equivalent Pa and eight equivalent Nd atoms to form distorted NdNd8Pa4 cuboctahedra that share corners with four equivalent PaNd12 cuboctahedra, corners with fourteen equivalent NdNd8Pa4 cuboctahedra, edges with six equivalent PaNd12 cuboctahedra, edges with twelve equivalent NdNd8Pa4 cuboctahedra, faces with four equivalent PaNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Pa4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.50–3.63 Å.},
doi = {10.17188/1719623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}