U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuH18C3S3(O2F)9 by Materials Project
Abstract
Lu(H2O)9(CF3)3(SO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six fluoroform molecules, six sulfur trioxide molecules, and two Lu(H2O)9 clusters. In each Lu(H2O)9 cluster, Lu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.30 Å) and three longer (2.56 Å) Lu–O bond lengths. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Lu3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Lu3+ and two H1+ atoms.
- Publication Date:
- Other Number(s):
- mp-540955
- 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; C-F-H-Lu-O-S; LuH18C3S3(O2F)9; crystal structure
- OSTI Identifier:
- 1264883
- DOI:
- https://doi.org/10.17188/1264883
Citation Formats
Materials Data on LuH18C3S3(O2F)9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264883.
Materials Data on LuH18C3S3(O2F)9 by Materials Project. United States. doi:https://doi.org/10.17188/1264883
2020.
"Materials Data on LuH18C3S3(O2F)9 by Materials Project". United States. doi:https://doi.org/10.17188/1264883. https://www.osti.gov/servlets/purl/1264883. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1264883,
title = {Materials Data on LuH18C3S3(O2F)9 by Materials Project},
abstractNote = {Lu(H2O)9(CF3)3(SO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six fluoroform molecules, six sulfur trioxide molecules, and two Lu(H2O)9 clusters. In each Lu(H2O)9 cluster, Lu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.30 Å) and three longer (2.56 Å) Lu–O bond lengths. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Lu3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Lu3+ and two H1+ atoms.},
doi = {10.17188/1264883},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}