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Title: Materials Data on HgSeO3 by Materials Project

Abstract

HgSeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded to six O2- atoms to form distorted corner-sharing HgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–78°. There are a spread of Hg–O bond distances ranging from 2.11–2.84 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.68 Å) and two longer (1.77 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one Se4+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1313061
Report Number(s):
mp-9228
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; HgSeO3; Hg-O-Se

Citation Formats

The Materials Project. Materials Data on HgSeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313061.
The Materials Project. Materials Data on HgSeO3 by Materials Project. United States. https://doi.org/10.17188/1313061
The Materials Project. 2020. "Materials Data on HgSeO3 by Materials Project". United States. https://doi.org/10.17188/1313061. https://www.osti.gov/servlets/purl/1313061.
@article{osti_1313061,
title = {Materials Data on HgSeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {HgSeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded to six O2- atoms to form distorted corner-sharing HgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–78°. There are a spread of Hg–O bond distances ranging from 2.11–2.84 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.68 Å) and two longer (1.77 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one Se4+ atom.},
doi = {10.17188/1313061},
url = {https://www.osti.gov/biblio/1313061}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}