U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn(GaS2)2 by Materials Project
Abstract
MnGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.
- Publication Date:
- Other Number(s):
- mp-20025
- 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; Ga-Mn-S; Mn(GaS2)2; crystal structure
- OSTI Identifier:
- 1195197
- DOI:
- https://doi.org/10.17188/1195197
Citation Formats
Materials Data on Mn(GaS2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195197.
Materials Data on Mn(GaS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1195197
2020.
"Materials Data on Mn(GaS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1195197. https://www.osti.gov/servlets/purl/1195197. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1195197,
title = {Materials Data on Mn(GaS2)2 by Materials Project},
abstractNote = {MnGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent S2- atoms to form MnS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Mn–S bond lengths are 2.41 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent MnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms.},
doi = {10.17188/1195197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 04:00:00 UTC 2020},
month = {Thu Jul 16 04:00:00 UTC 2020}
}