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Title: Materials Data on UH10CSe2(NO2)4 by Materials Project

Abstract

UNH4Se2O8CN3H6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two guanidinium molecules and one UNH4Se2O8 ribbon oriented in the (1, 0, 1) direction. In the UNH4Se2O8 ribbon, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.55 Å. N is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.06 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N and one O2- atom. The H–O bond length is 1.71 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. 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 1.69–1.76 Å. In the second Se2- site,more » 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 1.69–1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one U6+ and one Se2- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one U6+ and one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Se2- atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Se2- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se2- atom.« less

Publication Date:
Other Number(s):
mp-1208798
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; UH10CSe2(NO2)4; C-H-N-O-Se-U
OSTI Identifier:
1655620
DOI:
https://doi.org/10.17188/1655620

Citation Formats

The Materials Project. Materials Data on UH10CSe2(NO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655620.
The Materials Project. Materials Data on UH10CSe2(NO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1655620
The Materials Project. 2020. "Materials Data on UH10CSe2(NO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1655620. https://www.osti.gov/servlets/purl/1655620. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1655620,
title = {Materials Data on UH10CSe2(NO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {UNH4Se2O8CN3H6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two guanidinium molecules and one UNH4Se2O8 ribbon oriented in the (1, 0, 1) direction. In the UNH4Se2O8 ribbon, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.55 Å. N is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.06 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N and one O2- atom. The H–O bond length is 1.71 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N atom. 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 1.69–1.76 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 1.69–1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one U6+ and one Se2- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one U6+ and one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one Se2- atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Se2- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se2- atom.},
doi = {10.17188/1655620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}