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Title: Materials Data on Pr5(CoB3)2 by Materials Project

Abstract

Pr(Pr2CoB3)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three praseodymium molecules and three Pr2CoB3 sheets oriented in the (0, 0, 1) direction. In each Pr2CoB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.76 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.79 Å. Co+1.50+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Co–B bond lengths are 2.12 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Co+1.50+, and three equivalent B3- atoms. All B–B bond lengths are 1.83 Å.

Publication Date:
Other Number(s):
mp-7735
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; Pr5(CoB3)2; B-Co-Pr
OSTI Identifier:
1301900
DOI:
10.17188/1301900

Citation Formats

The Materials Project. Materials Data on Pr5(CoB3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301900.
The Materials Project. Materials Data on Pr5(CoB3)2 by Materials Project. United States. doi:10.17188/1301900.
The Materials Project. 2020. "Materials Data on Pr5(CoB3)2 by Materials Project". United States. doi:10.17188/1301900. https://www.osti.gov/servlets/purl/1301900. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1301900,
title = {Materials Data on Pr5(CoB3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(Pr2CoB3)2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three praseodymium molecules and three Pr2CoB3 sheets oriented in the (0, 0, 1) direction. In each Pr2CoB3 sheet, there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.76 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Pr–B bond lengths are 2.79 Å. Co+1.50+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Co–B bond lengths are 2.12 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Co+1.50+, and three equivalent B3- atoms. All B–B bond lengths are 1.83 Å.},
doi = {10.17188/1301900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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