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Title: Materials Data on CdCu2SiS4 by Materials Project

Abstract

Cu2CdSiS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 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, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.31–2.34 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.55–2.58 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Si–S bond lengths are 2.16 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Si4+ atom to form corner-sharing SCdCu2Si tetrahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Si4+ atom to form corner-sharing SCdCu2Si tetrahedra. In the third S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Si4+more » atom to form corner-sharing SCdCu2Si tetrahedra.« less

Publication Date:
Other Number(s):
mp-6449
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; CdCu2SiS4; Cd-Cu-S-Si
OSTI Identifier:
1280489
DOI:
https://doi.org/10.17188/1280489

Citation Formats

The Materials Project. Materials Data on CdCu2SiS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280489.
The Materials Project. Materials Data on CdCu2SiS4 by Materials Project. United States. doi:https://doi.org/10.17188/1280489
The Materials Project. 2020. "Materials Data on CdCu2SiS4 by Materials Project". United States. doi:https://doi.org/10.17188/1280489. https://www.osti.gov/servlets/purl/1280489. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280489,
title = {Materials Data on CdCu2SiS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2CdSiS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 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, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SiS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.31–2.34 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent SiS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.55–2.58 Å. Si4+ is bonded to four S2- atoms to form SiS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Si–S bond lengths are 2.16 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Si4+ atom to form corner-sharing SCdCu2Si tetrahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Si4+ atom to form corner-sharing SCdCu2Si tetrahedra. In the third S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Si4+ atom to form corner-sharing SCdCu2Si tetrahedra.},
doi = {10.17188/1280489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}