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Title: Materials Data on UMo2H2O9 by Materials Project

Abstract

UMo2O9H2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of twenty-four dihydrogen molecules and six UMo2O9 sheets oriented in the (1, 0, 0) direction. In each UMo2O9 sheet, U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.51 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.16 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two Mo6+ atoms. Inmore » the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1208512
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; UMo2H2O9; H-Mo-O-U
OSTI Identifier:
1705512
DOI:
https://doi.org/10.17188/1705512

Citation Formats

The Materials Project. Materials Data on UMo2H2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705512.
The Materials Project. Materials Data on UMo2H2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1705512
The Materials Project. 2020. "Materials Data on UMo2H2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1705512. https://www.osti.gov/servlets/purl/1705512. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1705512,
title = {Materials Data on UMo2H2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {UMo2O9H2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of twenty-four dihydrogen molecules and six UMo2O9 sheets oriented in the (1, 0, 0) direction. In each UMo2O9 sheet, U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.51 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.16 Å. In the second Mo6+ site, Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.16 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two Mo6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one U4+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom.},
doi = {10.17188/1705512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}