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Title: Materials Data on ZnCdTe2 by Materials Project

Abstract

CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent CdTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are three shorter (2.82 Å) and one longer (2.87 Å) Cd–Te bond lengths. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with six equivalent CdTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are one shorter (2.67 Å) and three longer (2.74 Å) Zn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Cd2+ and three equivalent Zn2+ atoms to form corner-sharing TeZn3Cd tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cd2+ and one Zn2+ atom to form corner-sharing TeZnCd3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1215406
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; ZnCdTe2; Cd-Te-Zn
OSTI Identifier:
1698676
DOI:
https://doi.org/10.17188/1698676

Citation Formats

The Materials Project. Materials Data on ZnCdTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698676.
The Materials Project. Materials Data on ZnCdTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1698676
The Materials Project. 2020. "Materials Data on ZnCdTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1698676. https://www.osti.gov/servlets/purl/1698676. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1698676,
title = {Materials Data on ZnCdTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CdZnTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent CdTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are three shorter (2.82 Å) and one longer (2.87 Å) Cd–Te bond lengths. Zn2+ is bonded to four Te2- atoms to form ZnTe4 tetrahedra that share corners with six equivalent CdTe4 tetrahedra and corners with six equivalent ZnTe4 tetrahedra. There are one shorter (2.67 Å) and three longer (2.74 Å) Zn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Cd2+ and three equivalent Zn2+ atoms to form corner-sharing TeZn3Cd tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cd2+ and one Zn2+ atom to form corner-sharing TeZnCd3 tetrahedra.},
doi = {10.17188/1698676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}