U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2Si(H2O5)2 by Materials Project
Abstract
U2Si(H2O5)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent SiO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent UO7 pentagonal bipyramids and edges with two equivalent UO7 pentagonal bipyramids. All Si–O bond lengths are 1.65 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-23994
- 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; U2Si(H2O5)2; H-O-Si-U
- OSTI Identifier:
- 1199851
- DOI:
- https://doi.org/10.17188/1199851
Citation Formats
The Materials Project. Materials Data on U2Si(H2O5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199851.
The Materials Project. Materials Data on U2Si(H2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199851
The Materials Project. 2020.
"Materials Data on U2Si(H2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199851. https://www.osti.gov/servlets/purl/1199851. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1199851,
title = {Materials Data on U2Si(H2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Si(H2O5)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent SiO4 tetrahedra, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one SiO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent UO7 pentagonal bipyramids and edges with two equivalent UO7 pentagonal bipyramids. All Si–O bond lengths are 1.65 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent U6+ and one Si4+ atom.},
doi = {10.17188/1199851},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}