DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1186285
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; Nd3Pa; Nd-Pa
OSTI Identifier:
1719623
DOI:
https://doi.org/10.17188/1719623

Citation Formats

The Materials Project. Materials Data on Nd3Pa by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719623.
The Materials Project. Materials Data on Nd3Pa by Materials Project. United States. doi:https://doi.org/10.17188/1719623
The Materials Project. 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},
author = {The 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}
}