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Title: Materials Data on KPr3 by Materials Project

Abstract

KPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to twelve Pr atoms to form a mixture of face and corner-sharing KPr12 cuboctahedra. There are six shorter (3.88 Å) and six longer (3.99 Å) K–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent K and eight Pr atoms. There are a spread of Pr–Pr bond distances ranging from 3.68–4.27 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent K and eight equivalent Pr atoms.

Authors:
Publication Date:
Other Number(s):
mp-1185158
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; KPr3; K-Pr
OSTI Identifier:
1686940
DOI:
https://doi.org/10.17188/1686940

Citation Formats

The Materials Project. Materials Data on KPr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686940.
The Materials Project. Materials Data on KPr3 by Materials Project. United States. doi:https://doi.org/10.17188/1686940
The Materials Project. 2020. "Materials Data on KPr3 by Materials Project". United States. doi:https://doi.org/10.17188/1686940. https://www.osti.gov/servlets/purl/1686940. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686940,
title = {Materials Data on KPr3 by Materials Project},
author = {The Materials Project},
abstractNote = {KPr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to twelve Pr atoms to form a mixture of face and corner-sharing KPr12 cuboctahedra. There are six shorter (3.88 Å) and six longer (3.99 Å) K–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent K and eight Pr atoms. There are a spread of Pr–Pr bond distances ranging from 3.68–4.27 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent K and eight equivalent Pr atoms.},
doi = {10.17188/1686940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}