U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3U6CrF30 by Materials Project
Abstract
Na3U6CrF30 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted pentagonal pyramidal geometry to six F1- atoms. There are three shorter (2.28 Å) and three longer (2.35 Å) Na–F bond lengths. In the second Na1+ site, Na1+ is bonded to twelve F1- atoms to form NaF12 cuboctahedra that share faces with two equivalent CrF6 octahedra. There are six shorter (2.63 Å) and six longer (2.67 Å) Na–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.26–2.43 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with two equivalent NaF12 cuboctahedra. All Cr–F bond lengths are 1.95 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1195887
- 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; Na3U6CrF30; Cr-F-Na-U
- OSTI Identifier:
- 1748973
- DOI:
- https://doi.org/10.17188/1748973
Citation Formats
The Materials Project. Materials Data on Na3U6CrF30 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748973.
The Materials Project. Materials Data on Na3U6CrF30 by Materials Project. United States. doi:https://doi.org/10.17188/1748973
The Materials Project. 2020.
"Materials Data on Na3U6CrF30 by Materials Project". United States. doi:https://doi.org/10.17188/1748973. https://www.osti.gov/servlets/purl/1748973. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748973,
title = {Materials Data on Na3U6CrF30 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3U6CrF30 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted pentagonal pyramidal geometry to six F1- atoms. There are three shorter (2.28 Å) and three longer (2.35 Å) Na–F bond lengths. In the second Na1+ site, Na1+ is bonded to twelve F1- atoms to form NaF12 cuboctahedra that share faces with two equivalent CrF6 octahedra. There are six shorter (2.63 Å) and six longer (2.67 Å) Na–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.26–2.43 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share faces with two equivalent NaF12 cuboctahedra. All Cr–F bond lengths are 1.95 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Na1+ and two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Na1+, one U4+, and one Cr3+ atom.},
doi = {10.17188/1748973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}