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Title: Materials Data on DyGa2Co3 by Materials Project

Abstract

DyCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a hexagonal planar geometry to six Co and twelve Ga atoms. All Dy–Co bond lengths are 2.84 Å. All Dy–Ga bond lengths are 3.39 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Co and six Ga atoms. There are a spread of Dy–Co bond distances ranging from 3.02–3.23 Å. All Dy–Ga bond lengths are 3.09 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Dy, four equivalent Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoDy4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.56 Å. In the second Co site, Co is bonded to four equivalent Dy, four Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoDy4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.56 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three Dy, two equivalentmore » Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.42 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three Dy, two Co, and four Ga atoms. All Co–Ga bond lengths are 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, six Co, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1106015
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; DyGa2Co3; Co-Dy-Ga
OSTI Identifier:
1696099
DOI:
https://doi.org/10.17188/1696099

Citation Formats

The Materials Project. Materials Data on DyGa2Co3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1696099.
The Materials Project. Materials Data on DyGa2Co3 by Materials Project. United States. doi:https://doi.org/10.17188/1696099
The Materials Project. 2018. "Materials Data on DyGa2Co3 by Materials Project". United States. doi:https://doi.org/10.17188/1696099. https://www.osti.gov/servlets/purl/1696099. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1696099,
title = {Materials Data on DyGa2Co3 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a hexagonal planar geometry to six Co and twelve Ga atoms. All Dy–Co bond lengths are 2.84 Å. All Dy–Ga bond lengths are 3.39 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Co and six Ga atoms. There are a spread of Dy–Co bond distances ranging from 3.02–3.23 Å. All Dy–Ga bond lengths are 3.09 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Dy, four equivalent Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoDy4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.56 Å. In the second Co site, Co is bonded to four equivalent Dy, four Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoDy4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.47 Å. All Co–Ga bond lengths are 2.56 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three Dy, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.42 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three Dy, two Co, and four Ga atoms. All Co–Ga bond lengths are 2.42 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.79 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, six Co, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.},
doi = {10.17188/1696099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}