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Title: Materials Data on SrU2I2O13 by Materials Project

Abstract

SrU2O13I2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.71 Å. There are two inequivalent U sites. In the first U site, U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.85–2.54 Å. In the second U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.86–2.71 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two U and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a trigonal planar geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.83 Å. In the fourth O site, O is bonded in a single-bond geometry to one Sr atom. In the fifth O site, O is bondedmore » in a distorted bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.81 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one U atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a 3-coordinate geometry to three U atoms. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Sr and two I atoms. There are one shorter (1.84 Å) and one longer (2.62 Å) O–I bond lengths. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the thirteenth O site, O is bonded in a 2-coordinate geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted trigonal non-coplanar geometry to three O atoms. In the second I site, I is bonded in a 4-coordinate geometry to four O atoms.« less

Publication Date:
Other Number(s):
mp-1197845
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; SrU2I2O13; I-O-Sr-U
OSTI Identifier:
1682696
DOI:
https://doi.org/10.17188/1682696

Citation Formats

The Materials Project. Materials Data on SrU2I2O13 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682696.
The Materials Project. Materials Data on SrU2I2O13 by Materials Project. United States. doi:https://doi.org/10.17188/1682696
The Materials Project. 2019. "Materials Data on SrU2I2O13 by Materials Project". United States. doi:https://doi.org/10.17188/1682696. https://www.osti.gov/servlets/purl/1682696. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1682696,
title = {Materials Data on SrU2I2O13 by Materials Project},
author = {The Materials Project},
abstractNote = {SrU2O13I2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.71 Å. There are two inequivalent U sites. In the first U site, U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.85–2.54 Å. In the second U site, U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.86–2.71 Å. There are thirteen inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two U and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a trigonal planar geometry to three U atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.83 Å. In the fourth O site, O is bonded in a single-bond geometry to one Sr atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one I atom. The O–I bond length is 1.81 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Sr and one U atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a 3-coordinate geometry to three U atoms. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Sr and two I atoms. There are one shorter (1.84 Å) and one longer (2.62 Å) O–I bond lengths. In the twelfth O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one U atom. In the thirteenth O site, O is bonded in a 2-coordinate geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted trigonal non-coplanar geometry to three O atoms. In the second I site, I is bonded in a 4-coordinate geometry to four O atoms.},
doi = {10.17188/1682696},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}