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Title: Materials Data on Na2Hg3(S2O)2 by Materials Project

Abstract

Na2Hg3(S2O)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded to four equivalent S1- and two equivalent O2- atoms to form distorted NaS4O2 octahedra that share edges with two equivalent ONa2S2 tetrahedra and faces with two equivalent NaS4O2 octahedra. There are two shorter (2.93 Å) and two longer (2.98 Å) Na–S bond lengths. There are one shorter (2.58 Å) and one longer (2.74 Å) Na–O bond lengths. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S1- atoms. All Hg–S bond lengths are 2.82 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two equivalent S1- atoms. Both Hg–S bond lengths are 2.97 Å. S1- is bonded in a distorted single-bond geometry to two equivalent Na1+, two Hg2+, and one O2- atom. The S–O bond length is 1.76 Å. O2- is bonded to two equivalent Na1+ and two equivalent S1- atoms to form ONa2S2 tetrahedra that share corners with two equivalent ONa2S2 tetrahedra and edges with two equivalent NaS4O2 octahedra.

Publication Date:
Other Number(s):
mp-1180288
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na2Hg3(S2O)2; Hg-Na-O-S
OSTI Identifier:
1757672
DOI:
https://doi.org/10.17188/1757672

Citation Formats

The Materials Project. Materials Data on Na2Hg3(S2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757672.
The Materials Project. Materials Data on Na2Hg3(S2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1757672
The Materials Project. 2020. "Materials Data on Na2Hg3(S2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1757672. https://www.osti.gov/servlets/purl/1757672. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757672,
title = {Materials Data on Na2Hg3(S2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Hg3(S2O)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded to four equivalent S1- and two equivalent O2- atoms to form distorted NaS4O2 octahedra that share edges with two equivalent ONa2S2 tetrahedra and faces with two equivalent NaS4O2 octahedra. There are two shorter (2.93 Å) and two longer (2.98 Å) Na–S bond lengths. There are one shorter (2.58 Å) and one longer (2.74 Å) Na–O bond lengths. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent S1- atoms. All Hg–S bond lengths are 2.82 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two equivalent S1- atoms. Both Hg–S bond lengths are 2.97 Å. S1- is bonded in a distorted single-bond geometry to two equivalent Na1+, two Hg2+, and one O2- atom. The S–O bond length is 1.76 Å. O2- is bonded to two equivalent Na1+ and two equivalent S1- atoms to form ONa2S2 tetrahedra that share corners with two equivalent ONa2S2 tetrahedra and edges with two equivalent NaS4O2 octahedra.},
doi = {10.17188/1757672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}