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Title: Materials Data on Y2Ga3Ag by Materials Project

Abstract

Y2AgGa3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ag and nine Ga atoms. All Y–Ag bond lengths are 3.02 Å. There are a spread of Y–Ga bond distances ranging from 3.03–3.43 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ag and nine Ga atoms. All Y–Ag bond lengths are 3.27 Å. There are a spread of Y–Ga bond distances ranging from 3.02–3.41 Å. Ag is bonded in a 10-coordinate geometry to six Y and four Ga atoms. There are three shorter (2.64 Å) and one longer (3.07 Å) Ag–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Y, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 3.06 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Y and four Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Y,more » one Ag, and three equivalent Ga atoms.« less

Publication Date:
Other Number(s):
mp-1216072
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; Y2Ga3Ag; Ag-Ga-Y
OSTI Identifier:
1729609
DOI:
https://doi.org/10.17188/1729609

Citation Formats

The Materials Project. Materials Data on Y2Ga3Ag by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729609.
The Materials Project. Materials Data on Y2Ga3Ag by Materials Project. United States. doi:https://doi.org/10.17188/1729609
The Materials Project. 2020. "Materials Data on Y2Ga3Ag by Materials Project". United States. doi:https://doi.org/10.17188/1729609. https://www.osti.gov/servlets/purl/1729609. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729609,
title = {Materials Data on Y2Ga3Ag by Materials Project},
author = {The Materials Project},
abstractNote = {Y2AgGa3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ag and nine Ga atoms. All Y–Ag bond lengths are 3.02 Å. There are a spread of Y–Ga bond distances ranging from 3.03–3.43 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Ag and nine Ga atoms. All Y–Ag bond lengths are 3.27 Å. There are a spread of Y–Ga bond distances ranging from 3.02–3.41 Å. Ag is bonded in a 10-coordinate geometry to six Y and four Ga atoms. There are three shorter (2.64 Å) and one longer (3.07 Å) Ag–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Y, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 3.06 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Y and four Ga atoms. All Ga–Ga bond lengths are 2.69 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Y, one Ag, and three equivalent Ga atoms.},
doi = {10.17188/1729609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}