U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BeZn3S4 by Materials Project
Abstract
BeZn3S4 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 ZnS4 tetrahedra. There are one shorter (2.10 Å) and three longer (2.25 Å) Be–S bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent BeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.34 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.34 Å) Zn–S bond lengths. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent BeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.35 Å) Zn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to formmore »
- Publication Date:
- Other Number(s):
- mp-1227366
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Be-S-Zn; BeZn3S4; crystal structure
- OSTI Identifier:
- 1691416
- DOI:
- https://doi.org/10.17188/1691416
Citation Formats
Materials Data on BeZn3S4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1691416.
Materials Data on BeZn3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1691416
2019.
"Materials Data on BeZn3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1691416. https://www.osti.gov/servlets/purl/1691416. Pub date:Sun Jan 13 04:00:00 UTC 2019
@article{osti_1691416,
title = {Materials Data on BeZn3S4 by Materials Project},
abstractNote = {BeZn3S4 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 ZnS4 tetrahedra. There are one shorter (2.10 Å) and three longer (2.25 Å) Be–S bond lengths. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent BeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.34 Å) Zn–S bond lengths. In the second Zn2+ site, Zn2+ is bonded to four S2- atoms to form corner-sharing ZnS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.34 Å) Zn–S bond lengths. In the third Zn2+ site, Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with three equivalent BeS4 tetrahedra and corners with nine ZnS4 tetrahedra. There are three shorter (2.33 Å) and one longer (2.35 Å) Zn–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the second S2- site, S2- is bonded to four Zn2+ atoms to form corner-sharing SZn4 tetrahedra. In the third S2- site, S2- is bonded to three equivalent Be2+ and one Zn2+ atom to form corner-sharing SBe3Zn tetrahedra. In the fourth S2- site, S2- is bonded to one Be2+ and three equivalent Zn2+ atoms to form corner-sharing SBeZn3 tetrahedra.},
doi = {10.17188/1691416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}