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Title: Materials Data on CsNa3U4(MoO10)2 by Materials Project

Abstract

CsNa3U4(MoO10)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.65 Å. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.82 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.89 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.87–2.48 Å. In the second U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.85–2.59 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.35 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded inmore » a 3-coordinate geometry to one Cs1+, one U6+, and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three U6+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two U6+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Na1+, and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one U6+, and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Na1+, and one Mo6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1194022
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; CsNa3U4(MoO10)2; Cs-Mo-Na-O-U
OSTI Identifier:
1746475
DOI:
https://doi.org/10.17188/1746475

Citation Formats

The Materials Project. Materials Data on CsNa3U4(MoO10)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746475.
The Materials Project. Materials Data on CsNa3U4(MoO10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746475
The Materials Project. 2020. "Materials Data on CsNa3U4(MoO10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746475. https://www.osti.gov/servlets/purl/1746475. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1746475,
title = {Materials Data on CsNa3U4(MoO10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNa3U4(MoO10)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.65 Å. There are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.47–2.82 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.89 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.87–2.48 Å. In the second U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.85–2.59 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.35 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one U6+, and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three U6+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two U6+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Na1+, and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one U6+, and one Mo6+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Na1+, and one Mo6+ atom.},
doi = {10.17188/1746475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}