U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnSe2 by Materials Project
Abstract
ZnSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent Se1- atoms to form ZnSe6 octahedra that share corners with twelve equivalent ZnSe6 octahedra and corners with six equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Zn–Se bond lengths are 2.68 Å. Se1- is bonded to three equivalent Zn2+ and one Se1- atom to form distorted SeZn3Se tetrahedra that share corners with three equivalent ZnSe6 octahedra and corners with fifteen equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se–Se bond length is 2.40 Å.
- Publication Date:
- Other Number(s):
- mp-1102515
- 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; Se-Zn; ZnSe2; crystal structure
- OSTI Identifier:
- 1749639
- DOI:
- https://doi.org/10.17188/1749639
Citation Formats
Materials Data on ZnSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749639.
Materials Data on ZnSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1749639
2020.
"Materials Data on ZnSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1749639. https://www.osti.gov/servlets/purl/1749639. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1749639,
title = {Materials Data on ZnSe2 by Materials Project},
abstractNote = {ZnSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent Se1- atoms to form ZnSe6 octahedra that share corners with twelve equivalent ZnSe6 octahedra and corners with six equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Zn–Se bond lengths are 2.68 Å. Se1- is bonded to three equivalent Zn2+ and one Se1- atom to form distorted SeZn3Se tetrahedra that share corners with three equivalent ZnSe6 octahedra and corners with fifteen equivalent SeZn3Se tetrahedra. The corner-sharing octahedral tilt angles are 76°. The Se–Se bond length is 2.40 Å.},
doi = {10.17188/1749639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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