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Title: Materials Data on Na3Pm by Materials Project

Abstract

Na3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Pm atoms to form distorted NaNa8Pm4 cuboctahedra that share corners with four equivalent PmNa12 cuboctahedra, corners with fourteen equivalent NaNa8Pm4 cuboctahedra, edges with six equivalent PmNa12 cuboctahedra, edges with twelve NaNa8Pm4 cuboctahedra, faces with four equivalent PmNa12 cuboctahedra, and faces with sixteen NaNa8Pm4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.57–3.81 Å. There are two shorter (3.64 Å) and two longer (3.72 Å) Na–Pm bond lengths. In the second Na site, Na is bonded to eight Na and four equivalent Pm atoms to form distorted NaNa8Pm4 cuboctahedra that share corners with four equivalent PmNa12 cuboctahedra, corners with fourteen NaNa8Pm4 cuboctahedra, edges with six equivalent PmNa12 cuboctahedra, edges with twelve NaNa8Pm4 cuboctahedra, faces with four equivalent PmNa12 cuboctahedra, and faces with sixteen NaNa8Pm4 cuboctahedra. There are one shorter (3.62 Å) and one longer (3.81 Å) Na–Na bond lengths. There are two shorter (3.64 Å) and two longer (3.72 Å) Na–Pm bond lengths. Pm is bonded to twelve Na atoms tomore » form PmNa12 cuboctahedra that share corners with six equivalent PmNa12 cuboctahedra, corners with twelve equivalent NaNa8Pm4 cuboctahedra, edges with eighteen NaNa8Pm4 cuboctahedra, faces with eight equivalent PmNa12 cuboctahedra, and faces with twelve NaNa8Pm4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1186078
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na3Pm; Na-Pm
OSTI Identifier:
1694556
DOI:
https://doi.org/10.17188/1694556

Citation Formats

The Materials Project. Materials Data on Na3Pm by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694556.
The Materials Project. Materials Data on Na3Pm by Materials Project. United States. doi:https://doi.org/10.17188/1694556
The Materials Project. 2020. "Materials Data on Na3Pm by Materials Project". United States. doi:https://doi.org/10.17188/1694556. https://www.osti.gov/servlets/purl/1694556. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694556,
title = {Materials Data on Na3Pm by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Pm atoms to form distorted NaNa8Pm4 cuboctahedra that share corners with four equivalent PmNa12 cuboctahedra, corners with fourteen equivalent NaNa8Pm4 cuboctahedra, edges with six equivalent PmNa12 cuboctahedra, edges with twelve NaNa8Pm4 cuboctahedra, faces with four equivalent PmNa12 cuboctahedra, and faces with sixteen NaNa8Pm4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.57–3.81 Å. There are two shorter (3.64 Å) and two longer (3.72 Å) Na–Pm bond lengths. In the second Na site, Na is bonded to eight Na and four equivalent Pm atoms to form distorted NaNa8Pm4 cuboctahedra that share corners with four equivalent PmNa12 cuboctahedra, corners with fourteen NaNa8Pm4 cuboctahedra, edges with six equivalent PmNa12 cuboctahedra, edges with twelve NaNa8Pm4 cuboctahedra, faces with four equivalent PmNa12 cuboctahedra, and faces with sixteen NaNa8Pm4 cuboctahedra. There are one shorter (3.62 Å) and one longer (3.81 Å) Na–Na bond lengths. There are two shorter (3.64 Å) and two longer (3.72 Å) Na–Pm bond lengths. Pm is bonded to twelve Na atoms to form PmNa12 cuboctahedra that share corners with six equivalent PmNa12 cuboctahedra, corners with twelve equivalent NaNa8Pm4 cuboctahedra, edges with eighteen NaNa8Pm4 cuboctahedra, faces with eight equivalent PmNa12 cuboctahedra, and faces with twelve NaNa8Pm4 cuboctahedra.},
doi = {10.17188/1694556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}