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Title: Materials Data on Cu2SiPbS4 by Materials Project

Abstract

Cu2PbSiS4 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 3.03–3.21 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra. All Si–S bond lengths are 2.15 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+, two equivalent Pb2+, and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+, two equivalent Pb2+, and one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-555818
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; Cu2SiPbS4; Cu-Pb-S-Si
OSTI Identifier:
1269004
DOI:
https://doi.org/10.17188/1269004

Citation Formats

The Materials Project. Materials Data on Cu2SiPbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269004.
The Materials Project. Materials Data on Cu2SiPbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1269004
The Materials Project. 2020. "Materials Data on Cu2SiPbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1269004. https://www.osti.gov/servlets/purl/1269004. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1269004,
title = {Materials Data on Cu2SiPbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2PbSiS4 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 3.03–3.21 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra. All Si–S bond lengths are 2.15 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+, two equivalent Pb2+, and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Cu1+, two equivalent Pb2+, and one Si4+ atom.},
doi = {10.17188/1269004},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}