U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaTh4OF19 by Materials Project
Abstract
Th4LaOF19 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to one O and eight F atoms. The Th–O bond length is 2.73 Å. There are a spread of Th–F bond distances ranging from 2.31–2.42 Å. In the second Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.30–2.47 Å. In the third Th site, Th is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Th–F bond distances ranging from 2.29–2.60 Å. La is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of La–F bond distances ranging from 2.36–2.66 Å. O is bonded in a single-bond geometry to one Th atom. There are fourteen inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Th and one La atom. In the second F site, F is bonded in a linear geometry to two equivalent Th atoms. In the third F site, F is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1223007
- 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; F-La-O-Th; LaTh4OF19; crystal structure
- OSTI Identifier:
- 1698507
- DOI:
- https://doi.org/10.17188/1698507
Citation Formats
Materials Data on LaTh4OF19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698507.
Materials Data on LaTh4OF19 by Materials Project. United States. doi:https://doi.org/10.17188/1698507
2020.
"Materials Data on LaTh4OF19 by Materials Project". United States. doi:https://doi.org/10.17188/1698507. https://www.osti.gov/servlets/purl/1698507. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1698507,
title = {Materials Data on LaTh4OF19 by Materials Project},
abstractNote = {Th4LaOF19 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to one O and eight F atoms. The Th–O bond length is 2.73 Å. There are a spread of Th–F bond distances ranging from 2.31–2.42 Å. In the second Th site, Th is bonded in a 9-coordinate geometry to nine F atoms. There are a spread of Th–F bond distances ranging from 2.30–2.47 Å. In the third Th site, Th is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Th–F bond distances ranging from 2.29–2.60 Å. La is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of La–F bond distances ranging from 2.36–2.66 Å. O is bonded in a single-bond geometry to one Th atom. There are fourteen inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Th and one La atom. In the second F site, F is bonded in a linear geometry to two equivalent Th atoms. In the third F site, F is bonded in a bent 150 degrees geometry to one Th and one La atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to two Th atoms. In the fifth F site, F is bonded in a trigonal planar geometry to two Th and one La atom. In the sixth F site, F is bonded in a trigonal planar geometry to two equivalent Th and one La atom. In the seventh F site, F is bonded in a trigonal planar geometry to three Th atoms. In the eighth F site, F is bonded in a trigonal planar geometry to two Th and one La atom. In the ninth F site, F is bonded in a bent 150 degrees geometry to one Th and one La atom. In the tenth F site, F is bonded in a bent 150 degrees geometry to one Th and one La atom. In the eleventh F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the twelfth F site, F is bonded in a bent 120 degrees geometry to two equivalent Th atoms. In the thirteenth F site, F is bonded in a bent 150 degrees geometry to two Th atoms. In the fourteenth F site, F is bonded in a bent 150 degrees geometry to two Th atoms.},
doi = {10.17188/1698507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}