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Title: Materials Data on La3Sn4 by Materials Project

Abstract

La3Sn4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Cmcm 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 eight Sn atoms. There are a spread of La–Sn bond distances ranging from 3.35–3.46 Å. In the second La site, La is bonded in a 5-coordinate geometry to seven Sn atoms. There are a spread of La–Sn bond distances ranging from 3.24–3.59 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six La and three Sn atoms. The Sn–Sn bond length is 2.96 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven La and two equivalent Sn atoms.

Publication Date:
Other Number(s):
mp-976378
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; La-Sn; La3Sn4; crystal structure
OSTI Identifier:
1315202
DOI:
https://doi.org/10.17188/1315202

Citation Formats

Materials Data on La3Sn4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315202.
Materials Data on La3Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1315202
2020. "Materials Data on La3Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1315202. https://www.osti.gov/servlets/purl/1315202. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1315202,
title = {Materials Data on La3Sn4 by Materials Project},
abstractNote = {La3Sn4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Cmcm 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 eight Sn atoms. There are a spread of La–Sn bond distances ranging from 3.35–3.46 Å. In the second La site, La is bonded in a 5-coordinate geometry to seven Sn atoms. There are a spread of La–Sn bond distances ranging from 3.24–3.59 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six La and three Sn atoms. The Sn–Sn bond length is 2.96 Å. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven La and two equivalent Sn atoms.},
doi = {10.17188/1315202},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}