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Title: Materials Data on Pr(Ga4Co)2 by Materials Project

Abstract

PrCo2Ga8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.13–3.39 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.32–2.62 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–2.92 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Co and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.95 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are four shorter (2.80 Å) and fourmore » longer (2.95 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–3.12 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and six Ga atoms. There are one shorter (2.69 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.03 Å. In the seventh Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–3.06 Å. In the eighth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. In the ninth Ga site, Ga is bonded in a 1-coordinate geometry to three Co and eight Ga atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1199241
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; Pr(Ga4Co)2; Co-Ga-Pr
OSTI Identifier:
1758322
DOI:
https://doi.org/10.17188/1758322

Citation Formats

The Materials Project. Materials Data on Pr(Ga4Co)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758322.
The Materials Project. Materials Data on Pr(Ga4Co)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758322
The Materials Project. 2020. "Materials Data on Pr(Ga4Co)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758322. https://www.osti.gov/servlets/purl/1758322. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758322,
title = {Materials Data on Pr(Ga4Co)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrCo2Ga8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Pr–Ga bond distances ranging from 3.13–3.39 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.32–2.62 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.83–2.92 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Co and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.95 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are four shorter (2.80 Å) and four longer (2.95 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–3.12 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and six Ga atoms. There are one shorter (2.69 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–3.03 Å. In the seventh Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–3.06 Å. In the eighth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Pr, two equivalent Co, and eight Ga atoms. In the ninth Ga site, Ga is bonded in a 1-coordinate geometry to three Co and eight Ga atoms.},
doi = {10.17188/1758322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}