U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbU3F10 by Materials Project
Abstract
RbU3F10 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted tetrahedral geometry to four F1- atoms. All Rb–F bond lengths are 2.79 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent F1- atoms. All Rb–F bond lengths are 2.78 Å. There are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.35–2.53 Å. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.34–2.51 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two U3+ atoms. In the third F1- site, F1- is bonded to one Rb1+ and three U3+ atoms to form a mixture of edge and corner-sharing FRbU3 tetrahedra. Inmore »
- Publication Date:
- Other Number(s):
- mp-1209699
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; F-Rb-U; RbU3F10
- OSTI Identifier:
- 1674867
- DOI:
- https://doi.org/10.17188/1674867
Citation Formats
Materials Data on RbU3F10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1674867.
Materials Data on RbU3F10 by Materials Project. United States. doi:https://doi.org/10.17188/1674867
2020.
"Materials Data on RbU3F10 by Materials Project". United States. doi:https://doi.org/10.17188/1674867. https://www.osti.gov/servlets/purl/1674867. Pub date:Tue Apr 28 20:00:00 EDT 2020
@article{osti_1674867,
title = {Materials Data on RbU3F10 by Materials Project},
abstractNote = {RbU3F10 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted tetrahedral geometry to four F1- atoms. All Rb–F bond lengths are 2.79 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent F1- atoms. All Rb–F bond lengths are 2.78 Å. There are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.35–2.53 Å. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.34–2.51 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two U3+ atoms. In the third F1- site, F1- is bonded to one Rb1+ and three U3+ atoms to form a mixture of edge and corner-sharing FRbU3 tetrahedra. In the fourth F1- site, F1- is bonded to one Rb1+ and three U3+ atoms to form a mixture of edge and corner-sharing FRbU3 tetrahedra. In the fifth F1- site, F1- is bonded to one Rb1+ and three equivalent U3+ atoms to form a mixture of edge and corner-sharing FRbU3 tetrahedra. In the sixth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent U3+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U3+ atoms.},
doi = {10.17188/1674867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}