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Title: Materials Data on LiU2Cl3O8 by Materials Project

Abstract

LiU2O8Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to four O and one Cl atom. There are a spread of Li–O bond distances ranging from 2.00–2.50 Å. The Li–Cl bond length is 2.63 Å. There are two inequivalent U sites. In the first U site, U is bonded in a 3-coordinate geometry to three O and four Cl atoms. There are a spread of U–O bond distances ranging from 1.79–2.23 Å. There are a spread of U–Cl bond distances ranging from 2.78–2.94 Å. In the second U site, U is bonded in a 2-coordinate geometry to five O and two Cl atoms. There are a spread of U–O bond distances ranging from 1.79–2.37 Å. There are one shorter (2.76 Å) and one longer (2.92 Å) U–Cl bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Li and one U atom. 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 themore » fourth O site, O is bonded in a linear geometry to one Li and one U atom. In the fifth O site, O is bonded in a trigonal planar geometry to three U atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one U and one Cl atom. The O–Cl bond length is 2.39 Å. In the seventh O site, O is bonded in a single-bond geometry to one Li atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Li and one O atom. The O–O bond length is 1.24 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to one Li, two U, and one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent U atoms. In the third Cl site, Cl is bonded in an L-shaped geometry to two U atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1193519
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; LiU2Cl3O8; Cl-Li-O-U
OSTI Identifier:
1710667
DOI:
https://doi.org/10.17188/1710667

Citation Formats

The Materials Project. Materials Data on LiU2Cl3O8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1710667.
The Materials Project. Materials Data on LiU2Cl3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1710667
The Materials Project. 2019. "Materials Data on LiU2Cl3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1710667. https://www.osti.gov/servlets/purl/1710667. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1710667,
title = {Materials Data on LiU2Cl3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {LiU2O8Cl3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to four O and one Cl atom. There are a spread of Li–O bond distances ranging from 2.00–2.50 Å. The Li–Cl bond length is 2.63 Å. There are two inequivalent U sites. In the first U site, U is bonded in a 3-coordinate geometry to three O and four Cl atoms. There are a spread of U–O bond distances ranging from 1.79–2.23 Å. There are a spread of U–Cl bond distances ranging from 2.78–2.94 Å. In the second U site, U is bonded in a 2-coordinate geometry to five O and two Cl atoms. There are a spread of U–O bond distances ranging from 1.79–2.37 Å. There are one shorter (2.76 Å) and one longer (2.92 Å) U–Cl bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Li and one U atom. 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 linear geometry to one Li and one U atom. In the fifth O site, O is bonded in a trigonal planar geometry to three U atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to one U and one Cl atom. The O–Cl bond length is 2.39 Å. In the seventh O site, O is bonded in a single-bond geometry to one Li atom. In the eighth O site, O is bonded in a 2-coordinate geometry to one Li and one O atom. The O–O bond length is 1.24 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to one Li, two U, and one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent U atoms. In the third Cl site, Cl is bonded in an L-shaped geometry to two U atoms.},
doi = {10.17188/1710667},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}