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Title: Materials Data on NaHg2IO2 by Materials Project

Abstract

NaHg2O2I crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- and four equivalent I1- atoms. All Na–O bond lengths are 2.45 Å. All Na–I bond lengths are 3.81 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- and three equivalent I1- atoms. Both Hg–O bond lengths are 2.08 Å. There are two shorter (3.39 Å) and one longer (3.42 Å) Hg–I bond lengths. O2- is bonded to two equivalent Na1+ and two equivalent Hg2+ atoms to form a mixture of edge and corner-sharing ONa2Hg2 tetrahedra. I1- is bonded in a 6-coordinate geometry to four equivalent Na1+ and six equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-23110
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; NaHg2IO2; Hg-I-Na-O
OSTI Identifier:
1199243
DOI:
https://doi.org/10.17188/1199243

Citation Formats

The Materials Project. Materials Data on NaHg2IO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199243.
The Materials Project. Materials Data on NaHg2IO2 by Materials Project. United States. doi:https://doi.org/10.17188/1199243
The Materials Project. 2020. "Materials Data on NaHg2IO2 by Materials Project". United States. doi:https://doi.org/10.17188/1199243. https://www.osti.gov/servlets/purl/1199243. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199243,
title = {Materials Data on NaHg2IO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaHg2O2I crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- and four equivalent I1- atoms. All Na–O bond lengths are 2.45 Å. All Na–I bond lengths are 3.81 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- and three equivalent I1- atoms. Both Hg–O bond lengths are 2.08 Å. There are two shorter (3.39 Å) and one longer (3.42 Å) Hg–I bond lengths. O2- is bonded to two equivalent Na1+ and two equivalent Hg2+ atoms to form a mixture of edge and corner-sharing ONa2Hg2 tetrahedra. I1- is bonded in a 6-coordinate geometry to four equivalent Na1+ and six equivalent Hg2+ atoms.},
doi = {10.17188/1199243},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}