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Title: Materials Data on PrNi4B by Materials Project

Abstract

PrNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Pr–Ni bond lengths are 2.94 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Pr–Ni bond lengths are 2.93 Å. All Pr–B bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Pr, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ni atoms.

Authors:
Publication Date:
Other Number(s):
mp-1101772
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; PrNi4B; B-Ni-Pr
OSTI Identifier:
1696254
DOI:
https://doi.org/10.17188/1696254

Citation Formats

The Materials Project. Materials Data on PrNi4B by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1696254.
The Materials Project. Materials Data on PrNi4B by Materials Project. United States. doi:https://doi.org/10.17188/1696254
The Materials Project. 2018. "Materials Data on PrNi4B by Materials Project". United States. doi:https://doi.org/10.17188/1696254. https://www.osti.gov/servlets/purl/1696254. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1696254,
title = {Materials Data on PrNi4B by Materials Project},
author = {The Materials Project},
abstractNote = {PrNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Pr–Ni bond lengths are 2.94 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Pr–Ni bond lengths are 2.93 Å. All Pr–B bond lengths are 2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Pr, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.06 Å. B is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Ni atoms.},
doi = {10.17188/1696254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}