U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mn2(SO4)3 by Materials Project
Abstract
Mn2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Mn7+ sites. In the first Mn7+ site, Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.11 Å) and three longer (2.13 Å) Mn–O bond lengths. In the second Mn7+ site, Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.00 Å) and three longer (2.05 Å) Mn–O bond lengths. S+3.33+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–47°. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one S+3.33+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn7+ and one S+3.33+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and onemore »
- Publication Date:
- Other Number(s):
- mp-778822
- 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; Mn-O-S; Mn2(SO4)3; crystal structure
- OSTI Identifier:
- 1305806
- DOI:
- https://doi.org/10.17188/1305806
Citation Formats
Materials Data on Mn2(SO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305806.
Materials Data on Mn2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1305806
2020.
"Materials Data on Mn2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1305806. https://www.osti.gov/servlets/purl/1305806. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1305806,
title = {Materials Data on Mn2(SO4)3 by Materials Project},
abstractNote = {Mn2(SO4)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Mn7+ sites. In the first Mn7+ site, Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.11 Å) and three longer (2.13 Å) Mn–O bond lengths. In the second Mn7+ site, Mn7+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.00 Å) and three longer (2.05 Å) Mn–O bond lengths. S+3.33+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four MnO6 octahedra. The corner-sharing octahedra tilt angles range from 27–47°. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one S+3.33+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mn7+ and one S+3.33+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mn7+ and one S+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one S+3.33+ atom.},
doi = {10.17188/1305806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}