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Title: Materials Data on Cs2U(Br2O)2 by Materials Project

Abstract

Cs2U(OBr2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent O2- and eight Br1- atoms. There are one shorter (3.30 Å) and one longer (3.47 Å) Cs–O bond lengths. There are a spread of Cs–Br bond distances ranging from 3.70–4.13 Å. U6+ is bonded in a distorted linear geometry to two equivalent O2- and four Br1- atoms. Both U–O bond lengths are 1.81 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) U–Br bond lengths. O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one U6+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one U6+ atom.

Publication Date:
Other Number(s):
mp-572551
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; Cs2U(Br2O)2; Br-Cs-O-U
OSTI Identifier:
1276413
DOI:
10.17188/1276413

Citation Formats

The Materials Project. Materials Data on Cs2U(Br2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276413.
The Materials Project. Materials Data on Cs2U(Br2O)2 by Materials Project. United States. doi:10.17188/1276413.
The Materials Project. 2020. "Materials Data on Cs2U(Br2O)2 by Materials Project". United States. doi:10.17188/1276413. https://www.osti.gov/servlets/purl/1276413. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1276413,
title = {Materials Data on Cs2U(Br2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2U(OBr2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent O2- and eight Br1- atoms. There are one shorter (3.30 Å) and one longer (3.47 Å) Cs–O bond lengths. There are a spread of Cs–Br bond distances ranging from 3.70–4.13 Å. U6+ is bonded in a distorted linear geometry to two equivalent O2- and four Br1- atoms. Both U–O bond lengths are 1.81 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) U–Br bond lengths. O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U6+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one U6+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one U6+ atom.},
doi = {10.17188/1276413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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