U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoSO4 by Materials Project
Abstract
CoSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.00–2.30 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-19379
- 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; Co-O-S; CoSO4; crystal structure
- OSTI Identifier:
- 1194386
- DOI:
- https://doi.org/10.17188/1194386
Citation Formats
Materials Data on CoSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194386.
Materials Data on CoSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194386
2020.
"Materials Data on CoSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194386. https://www.osti.gov/servlets/purl/1194386. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1194386,
title = {Materials Data on CoSO4 by Materials Project},
abstractNote = {CoSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.00–2.30 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co2+ and one S6+ atom.},
doi = {10.17188/1194386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}