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Title: Materials Data on Pr5Ga3 by Materials Project

Abstract

Pr5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.14–3.42 Å. In the second Pr site, Pr is bonded to five Ga atoms to form distorted corner-sharing PrGa5 square pyramids. There are one shorter (3.18 Å) and four longer (3.22 Å) Pr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Pr atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Pr and one Ga atom. The Ga–Ga bond length is 2.67 Å.

Publication Date:
Other Number(s):
mp-669594
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; Pr5Ga3; Ga-Pr
OSTI Identifier:
1281715
DOI:
10.17188/1281715

Citation Formats

The Materials Project. Materials Data on Pr5Ga3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281715.
The Materials Project. Materials Data on Pr5Ga3 by Materials Project. United States. doi:10.17188/1281715.
The Materials Project. 2020. "Materials Data on Pr5Ga3 by Materials Project". United States. doi:10.17188/1281715. https://www.osti.gov/servlets/purl/1281715. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1281715,
title = {Materials Data on Pr5Ga3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.14–3.42 Å. In the second Pr site, Pr is bonded to five Ga atoms to form distorted corner-sharing PrGa5 square pyramids. There are one shorter (3.18 Å) and four longer (3.22 Å) Pr–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Pr atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Pr and one Ga atom. The Ga–Ga bond length is 2.67 Å.},
doi = {10.17188/1281715},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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