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Title: Materials Data on SmGa3Ag by Materials Project

Abstract

SmAgGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Ga atoms. All Sm–Ag bond lengths are 3.47 Å. There are eight shorter (3.26 Å) and four longer (3.47 Å) Sm–Ga bond lengths. Ag is bonded to four equivalent Sm and eight Ga atoms to form distorted AgSm4Ga8 cuboctahedra that share corners with four equivalent GaSm4Ga4Ag4 cuboctahedra, corners with twelve equivalent AgSm4Ga8 cuboctahedra, edges with two equivalent GaSm4Ga4Ag4 cuboctahedra, faces with four equivalent AgSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ag4 cuboctahedra. There are four shorter (2.62 Å) and four longer (3.02 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Sm, four equivalent Ag, and four equivalent Ga atoms to form GaSm4Ga4Ag4 cuboctahedra that share corners with four equivalent AgSm4Ga8 cuboctahedra, corners with twelve equivalent GaSm4Ga4Ag4 cuboctahedra, edges with two equivalent AgSm4Ga8 cuboctahedra, faces with four equivalent AgSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ag4 cuboctahedra. All Ga–Ga bond lengths are 2.62 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm, two equivalent Ag,more » and three Ga atoms. The Ga–Ga bond length is 2.45 Å.« less

Publication Date:
Other Number(s):
mp-1218984
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; SmGa3Ag; Ag-Ga-Sm
OSTI Identifier:
1685746
DOI:
https://doi.org/10.17188/1685746

Citation Formats

The Materials Project. Materials Data on SmGa3Ag by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685746.
The Materials Project. Materials Data on SmGa3Ag by Materials Project. United States. doi:https://doi.org/10.17188/1685746
The Materials Project. 2019. "Materials Data on SmGa3Ag by Materials Project". United States. doi:https://doi.org/10.17188/1685746. https://www.osti.gov/servlets/purl/1685746. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685746,
title = {Materials Data on SmGa3Ag by Materials Project},
author = {The Materials Project},
abstractNote = {SmAgGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Ga atoms. All Sm–Ag bond lengths are 3.47 Å. There are eight shorter (3.26 Å) and four longer (3.47 Å) Sm–Ga bond lengths. Ag is bonded to four equivalent Sm and eight Ga atoms to form distorted AgSm4Ga8 cuboctahedra that share corners with four equivalent GaSm4Ga4Ag4 cuboctahedra, corners with twelve equivalent AgSm4Ga8 cuboctahedra, edges with two equivalent GaSm4Ga4Ag4 cuboctahedra, faces with four equivalent AgSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ag4 cuboctahedra. There are four shorter (2.62 Å) and four longer (3.02 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Sm, four equivalent Ag, and four equivalent Ga atoms to form GaSm4Ga4Ag4 cuboctahedra that share corners with four equivalent AgSm4Ga8 cuboctahedra, corners with twelve equivalent GaSm4Ga4Ag4 cuboctahedra, edges with two equivalent AgSm4Ga8 cuboctahedra, faces with four equivalent AgSm4Ga8 cuboctahedra, and faces with four equivalent GaSm4Ga4Ag4 cuboctahedra. All Ga–Ga bond lengths are 2.62 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Sm, two equivalent Ag, and three Ga atoms. The Ga–Ga bond length is 2.45 Å.},
doi = {10.17188/1685746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}