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Title: Materials Data on SrU(SeO4)2 by Materials Project

Abstract

SrU(SeO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrU(SeO4)2 sheet oriented in the (-1, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.18–2.62 Å. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.01–2.40 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.98 Å. In the second Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.84 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one Se4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourthmore » O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to one U6+ and one Se4+ atom.« less

Publication Date:
Other Number(s):
mp-556481
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; SrU(SeO4)2; O-Se-Sr-U
OSTI Identifier:
1269372
DOI:
10.17188/1269372

Citation Formats

The Materials Project. Materials Data on SrU(SeO4)2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269372.
The Materials Project. Materials Data on SrU(SeO4)2 by Materials Project. United States. doi:10.17188/1269372.
The Materials Project. 2014. "Materials Data on SrU(SeO4)2 by Materials Project". United States. doi:10.17188/1269372. https://www.osti.gov/servlets/purl/1269372. Pub date:Sat Feb 22 00:00:00 EST 2014
@article{osti_1269372,
title = {Materials Data on SrU(SeO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrU(SeO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrU(SeO4)2 sheet oriented in the (-1, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.18–2.62 Å. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.01–2.40 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.98 Å. In the second Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.84 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one Se4+ 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 3-coordinate geometry to two equivalent Sr2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to one U6+ and one Se4+ atom.},
doi = {10.17188/1269372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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