Materials Data on LiH4SNO4 by Materials Project
Abstract
LiNH4SO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight ammonium molecules and one LiSO4 framework. In the LiSO4 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–1.97 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.98 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four LiO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four LiO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-740717
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiH4SNO4; H-Li-N-O-S
- OSTI Identifier:
- 1287930
- DOI:
- https://doi.org/10.17188/1287930
Citation Formats
The Materials Project. Materials Data on LiH4SNO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287930.
The Materials Project. Materials Data on LiH4SNO4 by Materials Project. United States. doi:https://doi.org/10.17188/1287930
The Materials Project. 2020.
"Materials Data on LiH4SNO4 by Materials Project". United States. doi:https://doi.org/10.17188/1287930. https://www.osti.gov/servlets/purl/1287930. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287930,
title = {Materials Data on LiH4SNO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNH4SO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight ammonium molecules and one LiSO4 framework. In the LiSO4 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–1.97 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.98 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four LiO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four LiO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one S2- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the third O2- site, O2- is bonded in a linear geometry to one Li1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S2- atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S2- atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one S2- atom.},
doi = {10.17188/1287930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}