U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaMg2(SO4)3 by Materials Project
Abstract
NaMg2(SO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.49–2.56 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.13 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 27–41°. There is two shorter (1.47 Å) and two longer (1.50 Å) S–O bond length. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 25–37°. There is two shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one Mg, and one S atom. In the second O site, O is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210333
- 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; NaMg2(SO4)3; Mg-Na-O-S
- OSTI Identifier:
- 1651885
- DOI:
- https://doi.org/10.17188/1651885
Citation Formats
The Materials Project. Materials Data on NaMg2(SO4)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1651885.
The Materials Project. Materials Data on NaMg2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1651885
The Materials Project. 2019.
"Materials Data on NaMg2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1651885. https://www.osti.gov/servlets/purl/1651885. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651885,
title = {Materials Data on NaMg2(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMg2(SO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.49–2.56 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.13 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 27–41°. There is two shorter (1.47 Å) and two longer (1.50 Å) S–O bond length. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 25–37°. There is two shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one Mg, and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na, one Mg, and one S atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one Na, one Mg, and one S atom.},
doi = {10.17188/1651885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}