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Title: Materials Data on PrGa2Ni by Materials Project

Abstract

PrNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ga atoms. All Pr–Ni bond lengths are 3.23 Å. There are a spread of Pr–Ga bond distances ranging from 3.21–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pr, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.53 Å. There are one shorter (2.41 Å) and four longer (2.46 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.54 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025536
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; PrGa2Ni; Ga-Ni-Pr
OSTI Identifier:
1355580
DOI:
https://doi.org/10.17188/1355580

Citation Formats

The Materials Project. Materials Data on PrGa2Ni by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1355580.
The Materials Project. Materials Data on PrGa2Ni by Materials Project. United States. doi:https://doi.org/10.17188/1355580
The Materials Project. 2017. "Materials Data on PrGa2Ni by Materials Project". United States. doi:https://doi.org/10.17188/1355580. https://www.osti.gov/servlets/purl/1355580. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1355580,
title = {Materials Data on PrGa2Ni by Materials Project},
author = {The Materials Project},
abstractNote = {PrNiGa2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ga atoms. All Pr–Ni bond lengths are 3.23 Å. There are a spread of Pr–Ga bond distances ranging from 3.21–3.35 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pr, one Ni, and five Ga atoms. The Ni–Ni bond length is 2.53 Å. There are one shorter (2.41 Å) and four longer (2.46 Å) Ni–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.54 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the third Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.},
doi = {10.17188/1355580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}