U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiAgSe2 by Materials Project
Abstract
NiAgSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni3+ is bonded to six Se2- atoms to form edge-sharing NiSe6 octahedra. There are three shorter (2.42 Å) and three longer (2.46 Å) Ni–Se bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are one shorter (2.56 Å) and three longer (2.81 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ni3+ and one Ag1+ atom to form distorted corner-sharing SeNi3Ag tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Ni3+ and three equivalent Ag1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1018020
- 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; Ag-Ni-Se; NiAgSe2; crystal structure
- OSTI Identifier:
- 1350139
- DOI:
- https://doi.org/10.17188/1350139
Citation Formats
Materials Data on NiAgSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350139.
Materials Data on NiAgSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1350139
2020.
"Materials Data on NiAgSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1350139. https://www.osti.gov/servlets/purl/1350139. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1350139,
title = {Materials Data on NiAgSe2 by Materials Project},
abstractNote = {NiAgSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni3+ is bonded to six Se2- atoms to form edge-sharing NiSe6 octahedra. There are three shorter (2.42 Å) and three longer (2.46 Å) Ni–Se bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are one shorter (2.56 Å) and three longer (2.81 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ni3+ and one Ag1+ atom to form distorted corner-sharing SeNi3Ag tetrahedra. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Ni3+ and three equivalent Ag1+ atoms.},
doi = {10.17188/1350139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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