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Title: Materials Data on LaGaSi by Materials Project

Abstract

LaGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing LaSi6 pentagonal pyramids. There are two shorter (3.23 Å) and four longer (3.28 Å) La–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are one shorter (2.42 Å) and two longer (2.47 Å) Ga–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Si–La bond lengths. There are one shorter (2.42 Å) and two longer (2.47 Å) Si–Ga bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1222823
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; LaGaSi; Ga-La-Si
OSTI Identifier:
1708229
DOI:
https://doi.org/10.17188/1708229

Citation Formats

The Materials Project. Materials Data on LaGaSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708229.
The Materials Project. Materials Data on LaGaSi by Materials Project. United States. doi:https://doi.org/10.17188/1708229
The Materials Project. 2020. "Materials Data on LaGaSi by Materials Project". United States. doi:https://doi.org/10.17188/1708229. https://www.osti.gov/servlets/purl/1708229. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1708229,
title = {Materials Data on LaGaSi by Materials Project},
author = {The Materials Project},
abstractNote = {LaGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing LaSi6 pentagonal pyramids. There are two shorter (3.23 Å) and four longer (3.28 Å) La–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are one shorter (2.42 Å) and two longer (2.47 Å) Ga–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Si–La bond lengths. There are one shorter (2.42 Å) and two longer (2.47 Å) Si–Ga bond lengths.},
doi = {10.17188/1708229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}