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Title: Materials Data on ZnCu2SiTe4 by Materials Project

Abstract

Cu2ZnSiTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent ZnTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. All Cu–Te bond lengths are 2.58 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Zn–Te bond lengths are 2.70 Å. Si4+ is bonded to four equivalent Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Si–Te bond lengths are 2.59 Å. Te2- is bonded to two equivalent Cu1+, one Zn2+, and one Si4+ atom to form corner-sharing TeZnCu2Si tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1078498
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; ZnCu2SiTe4; Cu-Si-Te-Zn
OSTI Identifier:
1758362
DOI:
https://doi.org/10.17188/1758362

Citation Formats

The Materials Project. Materials Data on ZnCu2SiTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758362.
The Materials Project. Materials Data on ZnCu2SiTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1758362
The Materials Project. 2020. "Materials Data on ZnCu2SiTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1758362. https://www.osti.gov/servlets/purl/1758362. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758362,
title = {Materials Data on ZnCu2SiTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2ZnSiTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent ZnTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. All Cu–Te bond lengths are 2.58 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Zn–Te bond lengths are 2.70 Å. Si4+ is bonded to four equivalent Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Si–Te bond lengths are 2.59 Å. Te2- is bonded to two equivalent Cu1+, one Zn2+, and one Si4+ atom to form corner-sharing TeZnCu2Si tetrahedra.},
doi = {10.17188/1758362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}