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Title: Materials Data on La2Ga7Au by Materials Project

Abstract

La2AuGa7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to four equivalent Au and twelve Ga atoms. All La–Au bond lengths are 3.42 Å. There are a spread of La–Ga bond distances ranging from 3.38–3.49 Å. In the second La site, La is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of La–Ga bond distances ranging from 3.37–3.52 Å. Au is bonded in a 5-coordinate geometry to four equivalent La and five Ga atoms. There are one shorter (2.53 Å) and four longer (2.62 Å) Au–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four La, two equivalent Au, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four La and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to fourmore » equivalent La and five Ga atoms. The Ga–Ga bond length is 2.51 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. In the fifth Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent La, one Au, and four equivalent Ga atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1223761
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; La2Ga7Au; Au-Ga-La
OSTI Identifier:
1689184
DOI:
https://doi.org/10.17188/1689184

Citation Formats

The Materials Project. Materials Data on La2Ga7Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689184.
The Materials Project. Materials Data on La2Ga7Au by Materials Project. United States. doi:https://doi.org/10.17188/1689184
The Materials Project. 2020. "Materials Data on La2Ga7Au by Materials Project". United States. doi:https://doi.org/10.17188/1689184. https://www.osti.gov/servlets/purl/1689184. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689184,
title = {Materials Data on La2Ga7Au by Materials Project},
author = {The Materials Project},
abstractNote = {La2AuGa7 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to four equivalent Au and twelve Ga atoms. All La–Au bond lengths are 3.42 Å. There are a spread of La–Ga bond distances ranging from 3.38–3.49 Å. In the second La site, La is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of La–Ga bond distances ranging from 3.37–3.52 Å. Au is bonded in a 5-coordinate geometry to four equivalent La and five Ga atoms. There are one shorter (2.53 Å) and four longer (2.62 Å) Au–Ga bond lengths. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four La, two equivalent Au, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four La and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.65 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. The Ga–Ga bond length is 2.51 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. In the fifth Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent La, one Au, and four equivalent Ga atoms.},
doi = {10.17188/1689184},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}