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Title: Materials Data on U2ClO9 by Materials Project

Abstract

U2O9Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two U2O9Cl clusters. there are two inequivalent U sites. In the first U site, U is bonded in a 3-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.83–2.33 Å. The U–Cl bond length is 2.85 Å. In the second U site, U is bonded in a 6-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.84–2.29 Å. The U–Cl bond length is 2.93 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two U atoms. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometrymore » to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a trigonal planar geometry to three U atoms. Cl is bonded in an L-shaped geometry to two U atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1198277
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U2ClO9; Cl-O-U
OSTI Identifier:
1732528
DOI:
https://doi.org/10.17188/1732528

Citation Formats

The Materials Project. Materials Data on U2ClO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732528.
The Materials Project. Materials Data on U2ClO9 by Materials Project. United States. doi:https://doi.org/10.17188/1732528
The Materials Project. 2019. "Materials Data on U2ClO9 by Materials Project". United States. doi:https://doi.org/10.17188/1732528. https://www.osti.gov/servlets/purl/1732528. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732528,
title = {Materials Data on U2ClO9 by Materials Project},
author = {The Materials Project},
abstractNote = {U2O9Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two U2O9Cl clusters. there are two inequivalent U sites. In the first U site, U is bonded in a 3-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.83–2.33 Å. The U–Cl bond length is 2.85 Å. In the second U site, U is bonded in a 6-coordinate geometry to six O and one Cl atom. There are a spread of U–O bond distances ranging from 1.84–2.29 Å. The U–Cl bond length is 2.93 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two U atoms. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a single-bond geometry to one U atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a trigonal planar geometry to three U atoms. Cl is bonded in an L-shaped geometry to two U atoms.},
doi = {10.17188/1732528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}