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Title: Materials Data on BeZnS2 by Materials Project

Abstract

BeZnS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Be2+ is bonded to four S2- atoms to form BeS4 tetrahedra that share corners with six equivalent BeS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. There are one shorter (2.09 Å) and three longer (2.21 Å) Be–S bond lengths. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six equivalent BeS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. There are three shorter (2.30 Å) and one longer (2.34 Å) Zn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Be2+ and one Zn2+ atom to form corner-sharing SBe3Zn tetrahedra. In the second S2- site, S2- is bonded to one Be2+ and three equivalent Zn2+ atoms to form corner-sharing SBeZn3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1227316
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; BeZnS2; Be-S-Zn
OSTI Identifier:
1753479
DOI:
https://doi.org/10.17188/1753479

Citation Formats

The Materials Project. Materials Data on BeZnS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753479.
The Materials Project. Materials Data on BeZnS2 by Materials Project. United States. doi:https://doi.org/10.17188/1753479
The Materials Project. 2020. "Materials Data on BeZnS2 by Materials Project". United States. doi:https://doi.org/10.17188/1753479. https://www.osti.gov/servlets/purl/1753479. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1753479,
title = {Materials Data on BeZnS2 by Materials Project},
author = {The Materials Project},
abstractNote = {BeZnS2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Be2+ is bonded to four S2- atoms to form BeS4 tetrahedra that share corners with six equivalent BeS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. There are one shorter (2.09 Å) and three longer (2.21 Å) Be–S bond lengths. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six equivalent BeS4 tetrahedra and corners with six equivalent ZnS4 tetrahedra. There are three shorter (2.30 Å) and one longer (2.34 Å) Zn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Be2+ and one Zn2+ atom to form corner-sharing SBe3Zn tetrahedra. In the second S2- site, S2- is bonded to one Be2+ and three equivalent Zn2+ atoms to form corner-sharing SBeZn3 tetrahedra.},
doi = {10.17188/1753479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}