U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UP2H2CO9 by Materials Project
Abstract
UP2O9CH2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four methane molecules and one UP2O9 framework. In the UP2O9 framework, U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.42 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the fifthmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199367
- 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; UP2H2CO9; C-H-O-P-U
- OSTI Identifier:
- 1672212
- DOI:
- https://doi.org/10.17188/1672212
Citation Formats
The Materials Project. Materials Data on UP2H2CO9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1672212.
The Materials Project. Materials Data on UP2H2CO9 by Materials Project. United States. doi:https://doi.org/10.17188/1672212
The Materials Project. 2019.
"Materials Data on UP2H2CO9 by Materials Project". United States. doi:https://doi.org/10.17188/1672212. https://www.osti.gov/servlets/purl/1672212. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672212,
title = {Materials Data on UP2H2CO9 by Materials Project},
author = {The Materials Project},
abstractNote = {UP2O9CH2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four methane molecules and one UP2O9 framework. In the UP2O9 framework, U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.80–2.42 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.54 Å) and one longer (1.55 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ atom.},
doi = {10.17188/1672212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}