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

Title: Materials Data on Pr3(GaNi2)2 by Materials Project

Abstract

Pr3(Ni2Ga)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to six Ni and four equivalent Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.79–2.99 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.28 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to eight Ni and six equivalent Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.79–3.17 Å. There are four shorter (3.36 Å) and two longer (3.40 Å) Pr–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Pr, two Ni, and two equivalent Ga atoms. There are one shorter (2.57 Å) and one longer (2.62 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four Pr, three Ni, and three equivalent Ga atoms. Both Ni–Ni bond lengths are 2.51 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Ni–Ga bond lengths.more » Ga is bonded in a 12-coordinate geometry to seven Pr and five Ni atoms.« less

Publication Date:
Other Number(s):
mp-1205884
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; Pr3(GaNi2)2; Ga-Ni-Pr
OSTI Identifier:
1654248
DOI:
10.17188/1654248

Citation Formats

The Materials Project. Materials Data on Pr3(GaNi2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654248.
The Materials Project. Materials Data on Pr3(GaNi2)2 by Materials Project. United States. doi:10.17188/1654248.
The Materials Project. 2019. "Materials Data on Pr3(GaNi2)2 by Materials Project". United States. doi:10.17188/1654248. https://www.osti.gov/servlets/purl/1654248. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654248,
title = {Materials Data on Pr3(GaNi2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3(Ni2Ga)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to six Ni and four equivalent Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.79–2.99 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.28 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to eight Ni and six equivalent Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.79–3.17 Å. There are four shorter (3.36 Å) and two longer (3.40 Å) Pr–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Pr, two Ni, and two equivalent Ga atoms. There are one shorter (2.57 Å) and one longer (2.62 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four Pr, three Ni, and three equivalent Ga atoms. Both Ni–Ni bond lengths are 2.51 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to seven Pr and five Ni atoms.},
doi = {10.17188/1654248},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

Dataset:

Save / Share: