U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSO4 by Materials Project
Abstract
MgSO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent MgO6 octahedra. There are two shorter (2.03 Å) and four longer (2.18 Å) Mg–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-7572
- 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; Mg-O-S; MgSO4; crystal structure
- OSTI Identifier:
- 1290733
- DOI:
- https://doi.org/10.17188/1290733
Citation Formats
Materials Data on MgSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290733.
Materials Data on MgSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290733
2020.
"Materials Data on MgSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290733. https://www.osti.gov/servlets/purl/1290733. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1290733,
title = {Materials Data on MgSO4 by Materials Project},
abstractNote = {MgSO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent SO4 tetrahedra and edges with two equivalent MgO6 octahedra. There are two shorter (2.03 Å) and four longer (2.18 Å) Mg–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one S6+ atom.},
doi = {10.17188/1290733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}