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Title: Materials Data on Pr3U(ClO2)3 by Materials Project

Abstract

UPr3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Pr3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.69 Å. There are a spread of Pr–Cl bond distances ranging from 3.02–3.12 Å. O2- is bonded to one U6+, three equivalent Pr3+, and two equivalent Cl1- atoms to form a mixture of distorted corner, edge, and face-sharing OPr3UCl2 tetrahedra. There are one shorter (3.07 Å) and one longer (3.10 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent O2- atoms.

Publication Date:
Other Number(s):
mp-556183
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; Pr3U(ClO2)3; Cl-O-Pr-U
OSTI Identifier:
1269215
DOI:
10.17188/1269215

Citation Formats

The Materials Project. Materials Data on Pr3U(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269215.
The Materials Project. Materials Data on Pr3U(ClO2)3 by Materials Project. United States. doi:10.17188/1269215.
The Materials Project. 2020. "Materials Data on Pr3U(ClO2)3 by Materials Project". United States. doi:10.17188/1269215. https://www.osti.gov/servlets/purl/1269215. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1269215,
title = {Materials Data on Pr3U(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {UPr3(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All U–O bond lengths are 2.10 Å. Pr3+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Pr–O bond distances ranging from 2.44–2.69 Å. There are a spread of Pr–Cl bond distances ranging from 3.02–3.12 Å. O2- is bonded to one U6+, three equivalent Pr3+, and two equivalent Cl1- atoms to form a mixture of distorted corner, edge, and face-sharing OPr3UCl2 tetrahedra. There are one shorter (3.07 Å) and one longer (3.10 Å) O–Cl bond lengths. Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ and four equivalent O2- atoms.},
doi = {10.17188/1269215},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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