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Title: Materials Data on Dy(GaCo)6 by Materials Project

Abstract

Dy(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.19 Å) and eight longer (3.23 Å) Dy–Co bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.79–2.99 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Dy, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoDy2Ga6Co4 cuboctahedra. All Co–Co bond lengths are 2.50 Å. There are a spread of Co–Ga bond distances ranging from 2.52–2.66 Å. In the second Co site, Co is bonded to two equivalent Dy, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoDy2Ga6Co4 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. There are a spread of Co–Ga bond distances ranging from 2.46–2.60 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to one Dy, six Co, and three Ga atoms. There are one shorter (2.67 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In themore » second Ga site, Ga is bonded in a 8-coordinate geometry to one Dy, six Co, and one Ga atom. The Ga–Ga bond length is 2.61 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Dy, six Co, and two equivalent Ga atoms.« less

Publication Date:
Other Number(s):
mp-1213263
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; Dy(GaCo)6; Co-Dy-Ga
OSTI Identifier:
1749448
DOI:
https://doi.org/10.17188/1749448

Citation Formats

The Materials Project. Materials Data on Dy(GaCo)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749448.
The Materials Project. Materials Data on Dy(GaCo)6 by Materials Project. United States. doi:https://doi.org/10.17188/1749448
The Materials Project. 2020. "Materials Data on Dy(GaCo)6 by Materials Project". United States. doi:https://doi.org/10.17188/1749448. https://www.osti.gov/servlets/purl/1749448. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749448,
title = {Materials Data on Dy(GaCo)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy(CoGa)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to twelve Co and eight Ga atoms. There are four shorter (3.19 Å) and eight longer (3.23 Å) Dy–Co bond lengths. There are a spread of Dy–Ga bond distances ranging from 2.79–2.99 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Dy, four equivalent Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoDy2Ga6Co4 cuboctahedra. All Co–Co bond lengths are 2.50 Å. There are a spread of Co–Ga bond distances ranging from 2.52–2.66 Å. In the second Co site, Co is bonded to two equivalent Dy, four Co, and six Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoDy2Ga6Co4 cuboctahedra. Both Co–Co bond lengths are 2.52 Å. There are a spread of Co–Ga bond distances ranging from 2.46–2.60 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to one Dy, six Co, and three Ga atoms. There are one shorter (2.67 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Dy, six Co, and one Ga atom. The Ga–Ga bond length is 2.61 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Dy, six Co, and two equivalent Ga atoms.},
doi = {10.17188/1749448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}