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Title: Materials Data on Pr2(Ga3Ru)3 by Materials Project

Abstract

Pr2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.10–3.19 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.60–2.67 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.62–2.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Pr, two equivalent Ru, and six Ga atoms. There are two shorter (2.75 Å) and four longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Pr, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.97 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Pr, three Ru, and five Ga atoms. There are one shortermore » (2.72 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Pr, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.« less

Publication Date:
Other Number(s):
mp-1210301
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; Pr2(Ga3Ru)3; Ga-Pr-Ru
OSTI Identifier:
1752590
DOI:
https://doi.org/10.17188/1752590

Citation Formats

The Materials Project. Materials Data on Pr2(Ga3Ru)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752590.
The Materials Project. Materials Data on Pr2(Ga3Ru)3 by Materials Project. United States. doi:https://doi.org/10.17188/1752590
The Materials Project. 2020. "Materials Data on Pr2(Ga3Ru)3 by Materials Project". United States. doi:https://doi.org/10.17188/1752590. https://www.osti.gov/servlets/purl/1752590. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752590,
title = {Materials Data on Pr2(Ga3Ru)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2(RuGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.10–3.19 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.60–2.67 Å. In the second Ru site, Ru is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ru–Ga bond distances ranging from 2.62–2.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Pr, two equivalent Ru, and six Ga atoms. There are two shorter (2.75 Å) and four longer (2.80 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Pr, three Ru, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.97 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Pr, three Ru, and five Ga atoms. There are one shorter (2.72 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Pr, two equivalent Ru, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.},
doi = {10.17188/1752590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}