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Title: Materials Data on Na2Mg(SO6)2 by Materials Project

Abstract

Na2Mg(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.97 Å. Mg is bonded in a distorted square co-planar geometry to six O atoms. There are four shorter (2.02 Å) and two longer (2.62 Å) Mg–O bond lengths. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one S atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Mg, and one S atom. 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 bent 150 degrees geometry to one Mg and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. The O–Omore » bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one Mg, and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1201138
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; Na2Mg(SO6)2; Mg-Na-O-S
OSTI Identifier:
1663657
DOI:
https://doi.org/10.17188/1663657

Citation Formats

The Materials Project. Materials Data on Na2Mg(SO6)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663657.
The Materials Project. Materials Data on Na2Mg(SO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1663657
The Materials Project. 2019. "Materials Data on Na2Mg(SO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1663657. https://www.osti.gov/servlets/purl/1663657. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663657,
title = {Materials Data on Na2Mg(SO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Mg(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.27–2.97 Å. Mg is bonded in a distorted square co-planar geometry to six O atoms. There are four shorter (2.02 Å) and two longer (2.62 Å) Mg–O bond lengths. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Na and one S atom. In the second O site, O is bonded in a distorted trigonal planar geometry to one Na, one Mg, and one S atom. 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 bent 150 degrees geometry to one Mg and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the sixth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Na, one Mg, and one O atom.},
doi = {10.17188/1663657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}