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Title: Materials Data on Cs4UC3O11 by Materials Project

Abstract

Cs4UC3O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.45 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.49 Å. U6+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.85–2.46 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.32 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.32 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, one U6+, and one C4+ atom. In the second O2- site,more » O2- is bonded in a single-bond geometry to four Cs1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, one U6+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, one U6+, and one C4+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1276468
Report Number(s):
mp-573096
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cs4UC3O11; C-Cs-O-U

Citation Formats

The Materials Project. Materials Data on Cs4UC3O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276468.
The Materials Project. Materials Data on Cs4UC3O11 by Materials Project. United States. https://doi.org/10.17188/1276468
The Materials Project. 2020. "Materials Data on Cs4UC3O11 by Materials Project". United States. https://doi.org/10.17188/1276468. https://www.osti.gov/servlets/purl/1276468.
@article{osti_1276468,
title = {Materials Data on Cs4UC3O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4UC3O11 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.45 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.08–3.49 Å. U6+ is bonded in a distorted hexagonal bipyramidal geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.85–2.46 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.32 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.32 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, one U6+, and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four Cs1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, one U6+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Cs1+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+, one U6+, and one C4+ atom.},
doi = {10.17188/1276468},
url = {https://www.osti.gov/biblio/1276468}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}