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Title: Materials Data on GePbS3 by Materials Project

Abstract

PbGeS3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one PbGeS3 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Pb–S bond distances ranging from 2.75–3.04 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 2.21–2.29 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms.

Publication Date:
Other Number(s):
mp-624190
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; GePbS3; Ge-Pb-S
OSTI Identifier:
1278240
DOI:
10.17188/1278240

Citation Formats

The Materials Project. Materials Data on GePbS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278240.
The Materials Project. Materials Data on GePbS3 by Materials Project. United States. doi:10.17188/1278240.
The Materials Project. 2020. "Materials Data on GePbS3 by Materials Project". United States. doi:10.17188/1278240. https://www.osti.gov/servlets/purl/1278240. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1278240,
title = {Materials Data on GePbS3 by Materials Project},
author = {The Materials Project},
abstractNote = {PbGeS3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one PbGeS3 sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Pb–S bond distances ranging from 2.75–3.04 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 2.21–2.29 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pb2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms.},
doi = {10.17188/1278240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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