DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ga2Pb2S5 by Materials Project

Abstract

Ga2Pb2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.33 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.26–2.34 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.66 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.93–3.68 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Ga3+ and three Pb2+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Ga3+ and four Pb2+ atoms. In the third S2- site, S2- is bonded in a distorted bent 120 degrees geometry tomore » two Ga3+ and three Pb2+ atoms. In the fourth S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Ga3+ and two Pb2+ atoms. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to one Ga3+ and four Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-557672
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; Ga2Pb2S5; Ga-Pb-S
OSTI Identifier:
1269950
DOI:
https://doi.org/10.17188/1269950

Citation Formats

The Materials Project. Materials Data on Ga2Pb2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269950.
The Materials Project. Materials Data on Ga2Pb2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1269950
The Materials Project. 2020. "Materials Data on Ga2Pb2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1269950. https://www.osti.gov/servlets/purl/1269950. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269950,
title = {Materials Data on Ga2Pb2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ga2Pb2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.33 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.26–2.34 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.85–3.66 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.93–3.68 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two Ga3+ and three Pb2+ atoms. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one Ga3+ and four Pb2+ atoms. In the third S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Ga3+ and three Pb2+ atoms. In the fourth S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Ga3+ and two Pb2+ atoms. In the fifth S2- site, S2- is bonded in a distorted single-bond geometry to one Ga3+ and four Pb2+ atoms.},
doi = {10.17188/1269950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}