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Title: Materials Data on La4(GeS4)3 by Materials Project

Abstract

La4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.12 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.93–3.42 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.23 Å) and one longer (2.27 Å) Ge–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SLa3Ge tetrahedra. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-650031
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; La4(GeS4)3; Ge-La-S
OSTI Identifier:
1280946
DOI:
https://doi.org/10.17188/1280946

Citation Formats

The Materials Project. Materials Data on La4(GeS4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280946.
The Materials Project. Materials Data on La4(GeS4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1280946
The Materials Project. 2020. "Materials Data on La4(GeS4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1280946. https://www.osti.gov/servlets/purl/1280946. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280946,
title = {Materials Data on La4(GeS4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {La4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.89–3.12 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of La–S bond distances ranging from 2.93–3.42 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are three shorter (2.23 Å) and one longer (2.27 Å) Ge–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SLa3Ge tetrahedra. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three La3+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Ge4+ atom.},
doi = {10.17188/1280946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}