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Title: Materials Data on Pr2(ReB2)3 by Materials Project

Abstract

Pr2Re3B6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Pr–B bond distances ranging from 2.76–3.20 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.42 Å. In the second Re4+ site, Re4+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Re–B bond distances ranging from 2.14–2.31 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 8-coordinate geometry to three equivalent Pr3+, four Re4+, and one B3- atom. The B–B bond length is 1.83 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Pr3+, three Re4+, and two B3- atoms. There is one shorter (1.85 Å) and one longer (1.87 Å) B–B bond length. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Pr3+, three Re4+, and three B3- atoms. The B–B bond length is 1.81 Å.

Publication Date:
Other Number(s):
mp-2933
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; Pr2(ReB2)3; B-Pr-Re
OSTI Identifier:
1203687
DOI:
https://doi.org/10.17188/1203687

Citation Formats

The Materials Project. Materials Data on Pr2(ReB2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203687.
The Materials Project. Materials Data on Pr2(ReB2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1203687
The Materials Project. 2020. "Materials Data on Pr2(ReB2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1203687. https://www.osti.gov/servlets/purl/1203687. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203687,
title = {Materials Data on Pr2(ReB2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Re3B6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pr3+ is bonded in a 10-coordinate geometry to ten B3- atoms. There are a spread of Pr–B bond distances ranging from 2.76–3.20 Å. There are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.42 Å. In the second Re4+ site, Re4+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Re–B bond distances ranging from 2.14–2.31 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 8-coordinate geometry to three equivalent Pr3+, four Re4+, and one B3- atom. The B–B bond length is 1.83 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Pr3+, three Re4+, and two B3- atoms. There is one shorter (1.85 Å) and one longer (1.87 Å) B–B bond length. In the third B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Pr3+, three Re4+, and three B3- atoms. The B–B bond length is 1.81 Å.},
doi = {10.17188/1203687},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}