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Title: Materials Data on Pr3Ho by Materials Project

Abstract

HoPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Pr atoms to form HoPr12 cuboctahedra that share corners with four equivalent HoPr12 cuboctahedra, corners with eight equivalent PrPr8Ho4 cuboctahedra, edges with eight equivalent HoPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ho4 cuboctahedra, faces with four equivalent HoPr12 cuboctahedra, and faces with fourteen PrPr8Ho4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.68 Å) Ho–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Ho and eight Pr atoms to form PrPr8Ho4 cuboctahedra that share corners with twelve equivalent PrPr8Ho4 cuboctahedra, edges with eight equivalent HoPr12 cuboctahedra, edges with sixteen PrPr8Ho4 cuboctahedra, faces with four equivalent HoPr12 cuboctahedra, and faces with fourteen PrPr8Ho4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Ho and eight equivalent Pr atoms to form PrPr8Ho4 cuboctahedra that share corners with four equivalent PrPr8Ho4 cuboctahedra, corners with eight equivalent HoPr12 cuboctahedra, edges with twenty-four PrPr8Ho4 cuboctahedra, faces with six equivalent HoPr12 cuboctahedra, and faces withmore » twelve PrPr8Ho4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1186719
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; Pr3Ho; Ho-Pr
OSTI Identifier:
1758186
DOI:
https://doi.org/10.17188/1758186

Citation Formats

The Materials Project. Materials Data on Pr3Ho by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758186.
The Materials Project. Materials Data on Pr3Ho by Materials Project. United States. doi:https://doi.org/10.17188/1758186
The Materials Project. 2020. "Materials Data on Pr3Ho by Materials Project". United States. doi:https://doi.org/10.17188/1758186. https://www.osti.gov/servlets/purl/1758186. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758186,
title = {Materials Data on Pr3Ho by Materials Project},
author = {The Materials Project},
abstractNote = {HoPr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ho is bonded to twelve Pr atoms to form HoPr12 cuboctahedra that share corners with four equivalent HoPr12 cuboctahedra, corners with eight equivalent PrPr8Ho4 cuboctahedra, edges with eight equivalent HoPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ho4 cuboctahedra, faces with four equivalent HoPr12 cuboctahedra, and faces with fourteen PrPr8Ho4 cuboctahedra. There are four shorter (3.67 Å) and eight longer (3.68 Å) Ho–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Ho and eight Pr atoms to form PrPr8Ho4 cuboctahedra that share corners with twelve equivalent PrPr8Ho4 cuboctahedra, edges with eight equivalent HoPr12 cuboctahedra, edges with sixteen PrPr8Ho4 cuboctahedra, faces with four equivalent HoPr12 cuboctahedra, and faces with fourteen PrPr8Ho4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Ho and eight equivalent Pr atoms to form PrPr8Ho4 cuboctahedra that share corners with four equivalent PrPr8Ho4 cuboctahedra, corners with eight equivalent HoPr12 cuboctahedra, edges with twenty-four PrPr8Ho4 cuboctahedra, faces with six equivalent HoPr12 cuboctahedra, and faces with twelve PrPr8Ho4 cuboctahedra.},
doi = {10.17188/1758186},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}