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Title: Materials Data on H8Se2N2O5 by Materials Project

Abstract

(NH4)2Se2O5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Se2O5 clusters. In each Se2O5 cluster, there are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.87 Å. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se2- atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Se2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-707226
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; H8Se2N2O5; H-N-O-Se
OSTI Identifier:
1286350
DOI:
10.17188/1286350

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H8Se2N2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286350.
Persson, Kristin, & Project, Materials. Materials Data on H8Se2N2O5 by Materials Project. United States. doi:10.17188/1286350.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on H8Se2N2O5 by Materials Project". United States. doi:10.17188/1286350. https://www.osti.gov/servlets/purl/1286350. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1286350,
title = {Materials Data on H8Se2N2O5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(NH4)2Se2O5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Se2O5 clusters. In each Se2O5 cluster, there are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.87 Å. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.90 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Se2- atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Se2- atom.},
doi = {10.17188/1286350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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