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Title: Materials Data on La2GeS5 by Materials Project

Abstract

La2GeS5 crystallizes in the monoclinic P2_1/c 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 2.78–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.79–3.46 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form distorted corner-sharing SLa3Ge trigonal pyramids. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to one La3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1196611
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; La2GeS5; Ge-La-S
OSTI Identifier:
1734024
DOI:
https://doi.org/10.17188/1734024

Citation Formats

The Materials Project. Materials Data on La2GeS5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734024.
The Materials Project. Materials Data on La2GeS5 by Materials Project. United States. doi:https://doi.org/10.17188/1734024
The Materials Project. 2019. "Materials Data on La2GeS5 by Materials Project". United States. doi:https://doi.org/10.17188/1734024. https://www.osti.gov/servlets/purl/1734024. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1734024,
title = {Materials Data on La2GeS5 by Materials Project},
author = {The Materials Project},
abstractNote = {La2GeS5 crystallizes in the monoclinic P2_1/c 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 2.78–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.79–3.46 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form distorted corner-sharing SLa3Ge trigonal pyramids. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to one La3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ atoms.},
doi = {10.17188/1734024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}