DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Hg(IO3)2 by Materials Project

Abstract

Hg(IO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.60 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.71 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and two I5+ atoms. There are one shorter (1.86 Å) and one longer (2.79 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Hg2+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.66 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one I5+ atom.more » The O–I bond length is 1.88 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and two I5+ atoms. There are one shorter (1.86 Å) and one longer (2.64 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded to six O2- atoms to form distorted corner-sharing IO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second I5+ site, I5+ is bonded in a 5-coordinate geometry to five O2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-23407
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; Hg(IO3)2; Hg-I-O
OSTI Identifier:
1199486
DOI:
https://doi.org/10.17188/1199486

Citation Formats

The Materials Project. Materials Data on Hg(IO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199486.
The Materials Project. Materials Data on Hg(IO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199486
The Materials Project. 2020. "Materials Data on Hg(IO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199486. https://www.osti.gov/servlets/purl/1199486. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199486,
title = {Materials Data on Hg(IO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg(IO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and two I5+ atoms. There are one shorter (1.84 Å) and one longer (2.60 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and two equivalent I5+ atoms. There are one shorter (1.83 Å) and one longer (2.71 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and two I5+ atoms. There are one shorter (1.86 Å) and one longer (2.79 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Hg2+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.66 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one I5+ atom. The O–I bond length is 1.88 Å. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Hg2+ and two I5+ atoms. There are one shorter (1.86 Å) and one longer (2.64 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded to six O2- atoms to form distorted corner-sharing IO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second I5+ site, I5+ is bonded in a 5-coordinate geometry to five O2- atoms.},
doi = {10.17188/1199486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}