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Title: Materials Data on Pr4(FeB2)3 by Materials Project

Abstract

(Pr2FeB3)2Fe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three iron molecules and three Pr2FeB3 sheets oriented in the (0, 0, 1) direction. In each Pr2FeB3 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 2.75 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 2.73 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.81 Å.

Publication Date:
Other Number(s):
mp-1104305
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; Pr4(FeB2)3; B-Fe-Pr
OSTI Identifier:
1727180
DOI:
https://doi.org/10.17188/1727180

Citation Formats

The Materials Project. Materials Data on Pr4(FeB2)3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1727180.
The Materials Project. Materials Data on Pr4(FeB2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1727180
The Materials Project. 2018. "Materials Data on Pr4(FeB2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1727180. https://www.osti.gov/servlets/purl/1727180. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1727180,
title = {Materials Data on Pr4(FeB2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(Pr2FeB3)2Fe crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three iron molecules and three Pr2FeB3 sheets oriented in the (0, 0, 1) direction. In each Pr2FeB3 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 2.75 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 2.73 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.81 Å.},
doi = {10.17188/1727180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}