U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSO4 by Materials Project
Abstract
NaSO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent SO4 tetrahedra and edges with three equivalent NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.66 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with six equivalent NaO6 pentagonal pyramids. There is three shorter (1.46 Å) and one longer (1.66 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one S atom. In the second O site, O is bonded in a distorted water-like geometry to one S and one O atom. The O–O bond length is 1.51 Å. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one S atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one S atom.
- Publication Date:
- Other Number(s):
- mp-554328
- 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; Na-O-S; NaSO4; crystal structure
- OSTI Identifier:
- 1267853
- DOI:
- https://doi.org/10.17188/1267853
Citation Formats
Materials Data on NaSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267853.
Materials Data on NaSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267853
2020.
"Materials Data on NaSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267853. https://www.osti.gov/servlets/purl/1267853. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1267853,
title = {Materials Data on NaSO4 by Materials Project},
abstractNote = {NaSO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent SO4 tetrahedra and edges with three equivalent NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.39–2.66 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with six equivalent NaO6 pentagonal pyramids. There is three shorter (1.46 Å) and one longer (1.66 Å) S–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one S atom. In the second O site, O is bonded in a distorted water-like geometry to one S and one O atom. The O–O bond length is 1.51 Å. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one S atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one S atom.},
doi = {10.17188/1267853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}