U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMn3H6(SeO3)8 by Materials Project
Abstract
LiMn3H6(SeO3)8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.18 Å. Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.94–2.34 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. There are two inequivalent Se+2.50+ sites. In the first Se+2.50+ site, Se+2.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.81 Å. In the second Se+2.50+ site, Se+2.50+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn7+ and one Se+2.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one H1+, and one Se+2.50+ atom. In the third O2- site, O2- is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-1196748
- 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; H-Li-Mn-O-Se; LiMn3H6(SeO3)8; crystal structure
- OSTI Identifier:
- 1699965
- DOI:
- https://doi.org/10.17188/1699965
Citation Formats
Materials Data on LiMn3H6(SeO3)8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699965.
Materials Data on LiMn3H6(SeO3)8 by Materials Project. United States. doi:https://doi.org/10.17188/1699965
2020.
"Materials Data on LiMn3H6(SeO3)8 by Materials Project". United States. doi:https://doi.org/10.17188/1699965. https://www.osti.gov/servlets/purl/1699965. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1699965,
title = {Materials Data on LiMn3H6(SeO3)8 by Materials Project},
abstractNote = {LiMn3H6(SeO3)8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.18 Å. Mn7+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.94–2.34 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. There are two inequivalent Se+2.50+ sites. In the first Se+2.50+ site, Se+2.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.81 Å. In the second Se+2.50+ site, Se+2.50+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn7+ and one Se+2.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one H1+, and one Se+2.50+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn7+ and one Se+2.50+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn7+, one H1+, and one Se+2.50+ atom.},
doi = {10.17188/1699965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}