U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3ZnSe4 by Materials Project
Abstract
Ca3ZnSe4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Ca–Se bond lengths are 2.84 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.54 Å. Se2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing SeCa3Zn tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1079594
- 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; Ca-Se-Zn; Ca3ZnSe4; crystal structure
- OSTI Identifier:
- 1745162
- DOI:
- https://doi.org/10.17188/1745162
Citation Formats
Materials Data on Ca3ZnSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1745162.
Materials Data on Ca3ZnSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1745162
2020.
"Materials Data on Ca3ZnSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1745162. https://www.osti.gov/servlets/purl/1745162. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1745162,
title = {Materials Data on Ca3ZnSe4 by Materials Project},
abstractNote = {Ca3ZnSe4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Ca–Se bond lengths are 2.84 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.54 Å. Se2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing SeCa3Zn tetrahedra.},
doi = {10.17188/1745162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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