Materials Data on UMoO5 by Materials Project
Abstract
UMoO5 crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. U4+ is bonded to seven O2- atoms to form a mixture of edge and corner-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 2.07–2.43 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent U4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two equivalent Mo6+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-618968
- 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; UMoO5; Mo-O-U
- OSTI Identifier:
- 1277957
- DOI:
- https://doi.org/10.17188/1277957
Citation Formats
The Materials Project. Materials Data on UMoO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277957.
The Materials Project. Materials Data on UMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1277957
The Materials Project. 2020.
"Materials Data on UMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1277957. https://www.osti.gov/servlets/purl/1277957. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1277957,
title = {Materials Data on UMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {UMoO5 crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. U4+ is bonded to seven O2- atoms to form a mixture of edge and corner-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 2.07–2.43 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.74–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent U4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one U4+ and two equivalent Mo6+ atoms.},
doi = {10.17188/1277957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jun 24 00:00:00 EDT 2020},
month = {Wed Jun 24 00:00:00 EDT 2020}
}