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

Title: Materials Data on Sc3Ga2 by Materials Project

Abstract

Sc3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.77–3.06 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.74–3.46 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.80–3.25 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to nine Sc and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Sc atoms. In the third Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In the fourth Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Sc atoms.

Authors:
Publication Date:
Other Number(s):
mp-30666
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sc3Ga2; Ga-Sc
OSTI Identifier:
1205038
DOI:
https://doi.org/10.17188/1205038

Citation Formats

The Materials Project. Materials Data on Sc3Ga2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205038.
The Materials Project. Materials Data on Sc3Ga2 by Materials Project. United States. doi:https://doi.org/10.17188/1205038
The Materials Project. 2020. "Materials Data on Sc3Ga2 by Materials Project". United States. doi:https://doi.org/10.17188/1205038. https://www.osti.gov/servlets/purl/1205038. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205038,
title = {Materials Data on Sc3Ga2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.77–3.06 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.74–3.46 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.80–3.25 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to nine Sc and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Sc atoms. In the third Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. In the fourth Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Sc atoms.},
doi = {10.17188/1205038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}