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Title: Materials Data on H10SeO8 by Materials Project

Abstract

H10SeO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (1.33 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.66 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.66 Å) and three longer (1.68 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site,more » O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent H1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three H1+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent H1+ and one Se6+ atom.« less

Publication Date:
Other Number(s):
mp-774848
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; H10SeO8; H-O-Se
OSTI Identifier:
1302674
DOI:
https://doi.org/10.17188/1302674

Citation Formats

The Materials Project. Materials Data on H10SeO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302674.
The Materials Project. Materials Data on H10SeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1302674
The Materials Project. 2020. "Materials Data on H10SeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1302674. https://www.osti.gov/servlets/purl/1302674. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1302674,
title = {Materials Data on H10SeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {H10SeO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (1.33 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.66 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.66 Å) and three longer (1.68 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent H1+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three H1+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent H1+ and one Se6+ atom.},
doi = {10.17188/1302674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}