Materials Data on UCl2O by Materials Project
Abstract
UOCl2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to four O2- and five Cl1- atoms. There are a spread of U–O bond distances ranging from 2.23–2.36 Å. There are a spread of U–Cl bond distances ranging from 2.83–3.05 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are two shorter (2.15 Å) and one longer (2.33 Å) U–O bond lengths. There are a spread of U–Cl bond distances ranging from 2.75–3.07 Å. In the third U4+ site, U4+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are two shorter (2.22 Å) and one longer (2.28 Å) U–O bond lengths. There are a spread of U–Cl bond distances ranging from 2.75–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three U4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three U4+ atoms. In the third O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-640563
- 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; UCl2O; Cl-O-U
- OSTI Identifier:
- 1279948
- DOI:
- https://doi.org/10.17188/1279948
Citation Formats
The Materials Project. Materials Data on UCl2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279948.
The Materials Project. Materials Data on UCl2O by Materials Project. United States. doi:https://doi.org/10.17188/1279948
The Materials Project. 2020.
"Materials Data on UCl2O by Materials Project". United States. doi:https://doi.org/10.17188/1279948. https://www.osti.gov/servlets/purl/1279948. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1279948,
title = {Materials Data on UCl2O by Materials Project},
author = {The Materials Project},
abstractNote = {UOCl2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to four O2- and five Cl1- atoms. There are a spread of U–O bond distances ranging from 2.23–2.36 Å. There are a spread of U–Cl bond distances ranging from 2.83–3.05 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to three O2- and five Cl1- atoms. There are two shorter (2.15 Å) and one longer (2.33 Å) U–O bond lengths. There are a spread of U–Cl bond distances ranging from 2.75–3.07 Å. In the third U4+ site, U4+ is bonded in a 7-coordinate geometry to three O2- and four Cl1- atoms. There are two shorter (2.22 Å) and one longer (2.28 Å) U–O bond lengths. There are a spread of U–Cl bond distances ranging from 2.75–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three U4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three U4+ atoms. In the third O2- site, O2- is bonded to four U4+ atoms to form distorted corner-sharing OU4 tetrahedra. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two U4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three U4+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two U4+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent U4+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent U4+ atoms. In the sixth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three U4+ atoms.},
doi = {10.17188/1279948},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}