skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on PrNiB4 by Materials Project

Abstract

PrNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to sixteen B+1.50- atoms. There are a spread of Pr–B bond distances ranging from 2.85–2.93 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.86 Å) and eight longer (2.91 Å) Pr–B bond lengths. Ni3+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.12 Å) and four longer (2.24 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Pr3+, one Ni3+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.78 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Ni3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.

Publication Date:
Other Number(s):
mp-861608
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; PrNiB4; B-Ni-Pr
OSTI Identifier:
1309222
DOI:
https://doi.org/10.17188/1309222

Citation Formats

The Materials Project. Materials Data on PrNiB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309222.
The Materials Project. Materials Data on PrNiB4 by Materials Project. United States. doi:https://doi.org/10.17188/1309222
The Materials Project. 2020. "Materials Data on PrNiB4 by Materials Project". United States. doi:https://doi.org/10.17188/1309222. https://www.osti.gov/servlets/purl/1309222. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1309222,
title = {Materials Data on PrNiB4 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 4-coordinate geometry to sixteen B+1.50- atoms. There are a spread of Pr–B bond distances ranging from 2.85–2.93 Å. In the second Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.86 Å) and eight longer (2.91 Å) Pr–B bond lengths. Ni3+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.12 Å) and four longer (2.24 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Pr3+, one Ni3+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.78 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Pr3+, two equivalent Ni3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.},
doi = {10.17188/1309222},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}