skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YGa2Co3 by Materials Project

Abstract

YCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a hexagonal planar geometry to six equivalent Co atoms. All Y–Co bond lengths are 2.88 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.23 Å) Y–Co bond lengths. All Y–Ga bond lengths are 3.08 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Y, four equivalent Co, and four equivalent Ga atoms to form a mixture of distorted corner and face-sharing CoY4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.48 Å. All Co–Ga bond lengths are 2.52 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Y, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.42 Å. Ga is bonded in a 12-coordinate geometry to two equivalent Y and six Co atoms.

Publication Date:
Other Number(s):
mp-30557
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; YGa2Co3; Co-Ga-Y
OSTI Identifier:
1204949
DOI:
10.17188/1204949

Citation Formats

The Materials Project. Materials Data on YGa2Co3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204949.
The Materials Project. Materials Data on YGa2Co3 by Materials Project. United States. doi:10.17188/1204949.
The Materials Project. 2020. "Materials Data on YGa2Co3 by Materials Project". United States. doi:10.17188/1204949. https://www.osti.gov/servlets/purl/1204949. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204949,
title = {Materials Data on YGa2Co3 by Materials Project},
author = {The Materials Project},
abstractNote = {YCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a hexagonal planar geometry to six equivalent Co atoms. All Y–Co bond lengths are 2.88 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.02 Å) and six longer (3.23 Å) Y–Co bond lengths. All Y–Ga bond lengths are 3.08 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Y, four equivalent Co, and four equivalent Ga atoms to form a mixture of distorted corner and face-sharing CoY4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.48 Å. All Co–Ga bond lengths are 2.52 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Y, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.42 Å. Ga is bonded in a 12-coordinate geometry to two equivalent Y and six Co atoms.},
doi = {10.17188/1204949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: