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Title: Materials Data on Pr2Ga12Pd by Materials Project

Abstract

Pr2PdGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.21–3.39 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. There are four shorter (2.56 Å) and four longer (2.57 Å) Pd–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.65 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Pd, and two equivalent Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.58 Å.

Publication Date:
Other Number(s):
mp-1193902
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; Pr2Ga12Pd; Ga-Pd-Pr
OSTI Identifier:
1726816
DOI:
https://doi.org/10.17188/1726816

Citation Formats

The Materials Project. Materials Data on Pr2Ga12Pd by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1726816.
The Materials Project. Materials Data on Pr2Ga12Pd by Materials Project. United States. doi:https://doi.org/10.17188/1726816
The Materials Project. 2019. "Materials Data on Pr2Ga12Pd by Materials Project". United States. doi:https://doi.org/10.17188/1726816. https://www.osti.gov/servlets/purl/1726816. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1726816,
title = {Materials Data on Pr2Ga12Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2PdGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.21–3.39 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. There are four shorter (2.56 Å) and four longer (2.57 Å) Pd–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. There are one shorter (2.47 Å) and four longer (2.65 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Pr and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Pd, and two equivalent Ga atoms. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to one Pr and three Ga atoms. The Ga–Ga bond length is 2.58 Å.},
doi = {10.17188/1726816},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}