U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MnCdSe2 by Materials Project
Abstract
MnCdSe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent CdSe4 tetrahedra. There are one shorter (2.53 Å) and three longer (2.60 Å) Mn–Se bond lengths. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent CdSe4 tetrahedra. There are three shorter (2.66 Å) and one longer (2.69 Å) Cd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Mn2+ and one Cd2+ atom to form corner-sharing SeMn3Cd tetrahedra. In the second Se2- site, Se2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing SeMnCd3 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1221646
- 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; Cd-Mn-Se; MnCdSe2; crystal structure
- OSTI Identifier:
- 1700464
- DOI:
- https://doi.org/10.17188/1700464
Citation Formats
Materials Data on MnCdSe2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700464.
Materials Data on MnCdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1700464
2019.
"Materials Data on MnCdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1700464. https://www.osti.gov/servlets/purl/1700464. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1700464,
title = {Materials Data on MnCdSe2 by Materials Project},
abstractNote = {MnCdSe2 is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent CdSe4 tetrahedra. There are one shorter (2.53 Å) and three longer (2.60 Å) Mn–Se bond lengths. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent CdSe4 tetrahedra. There are three shorter (2.66 Å) and one longer (2.69 Å) Cd–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Mn2+ and one Cd2+ atom to form corner-sharing SeMn3Cd tetrahedra. In the second Se2- site, Se2- is bonded to one Mn2+ and three equivalent Cd2+ atoms to form corner-sharing SeMnCd3 tetrahedra.},
doi = {10.17188/1700464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}