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Title: Materials Data on ThGa2 by Materials Project

Abstract

ThGa2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. All Ga–Th bond lengths are 3.26 Å.

Publication Date:
Other Number(s):
mp-2067
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; ThGa2; Ga-Th
OSTI Identifier:
1195829
DOI:
https://doi.org/10.17188/1195829

Citation Formats

The Materials Project. Materials Data on ThGa2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195829.
The Materials Project. Materials Data on ThGa2 by Materials Project. United States. doi:https://doi.org/10.17188/1195829
The Materials Project. 2020. "Materials Data on ThGa2 by Materials Project". United States. doi:https://doi.org/10.17188/1195829. https://www.osti.gov/servlets/purl/1195829. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195829,
title = {Materials Data on ThGa2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThGa2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve Ga atoms to form a mixture of face and edge-sharing ThGa12 cuboctahedra. All Th–Ga bond lengths are 3.26 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. There are one shorter (2.46 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Th and three Ga atoms. All Ga–Th bond lengths are 3.26 Å.},
doi = {10.17188/1195829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}