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Title: Materials Data on DyGa3Ru by Materials Project

Abstract

DyRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Dy–Ru bond lengths are 3.22 Å. There are eight shorter (2.96 Å) and two longer (3.22 Å) Dy–Ga bond lengths. Ru is bonded to four equivalent Dy and eight equivalent Ga atoms to form distorted RuDy4Ga8 cuboctahedra that share corners with four equivalent RuDy4Ga8 cuboctahedra, edges with four equivalent GaDy6 octahedra, and faces with eight equivalent RuDy4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Dy atoms to form GaDy6 octahedra that share corners with six equivalent GaDy6 octahedra and edges with twelve equivalent RuDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Dy, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.

Publication Date:
Other Number(s):
mp-1105019
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; DyGa3Ru; Dy-Ga-Ru
OSTI Identifier:
1651725
DOI:
https://doi.org/10.17188/1651725

Citation Formats

The Materials Project. Materials Data on DyGa3Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651725.
The Materials Project. Materials Data on DyGa3Ru by Materials Project. United States. doi:https://doi.org/10.17188/1651725
The Materials Project. 2020. "Materials Data on DyGa3Ru by Materials Project". United States. doi:https://doi.org/10.17188/1651725. https://www.osti.gov/servlets/purl/1651725. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1651725,
title = {Materials Data on DyGa3Ru by Materials Project},
author = {The Materials Project},
abstractNote = {DyRuGa3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ga atoms. All Dy–Ru bond lengths are 3.22 Å. There are eight shorter (2.96 Å) and two longer (3.22 Å) Dy–Ga bond lengths. Ru is bonded to four equivalent Dy and eight equivalent Ga atoms to form distorted RuDy4Ga8 cuboctahedra that share corners with four equivalent RuDy4Ga8 cuboctahedra, edges with four equivalent GaDy6 octahedra, and faces with eight equivalent RuDy4Ga8 cuboctahedra. All Ru–Ga bond lengths are 2.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Dy atoms to form GaDy6 octahedra that share corners with six equivalent GaDy6 octahedra and edges with twelve equivalent RuDy4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Dy, three equivalent Ru, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.71 Å.},
doi = {10.17188/1651725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}