Materials Data on LaH18C3S3(O2F)9 by Materials Project
Abstract
La(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 La(H2O)9 clusters. In each La(H2O)9 cluster, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.54 Å) and three longer (2.64 Å) La–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 0.98 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 La3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one La3+ and two H1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-540953
- 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; LaH18C3S3(O2F)9; C-F-H-La-O-S
- OSTI Identifier:
- 1264882
- DOI:
- https://doi.org/10.17188/1264882
Citation Formats
The Materials Project. Materials Data on LaH18C3S3(O2F)9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264882.
The Materials Project. Materials Data on LaH18C3S3(O2F)9 by Materials Project. United States. doi:https://doi.org/10.17188/1264882
The Materials Project. 2020.
"Materials Data on LaH18C3S3(O2F)9 by Materials Project". United States. doi:https://doi.org/10.17188/1264882. https://www.osti.gov/servlets/purl/1264882. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1264882,
title = {Materials Data on LaH18C3S3(O2F)9 by Materials Project},
author = {The Materials Project},
abstractNote = {La(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 La(H2O)9 clusters. In each La(H2O)9 cluster, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.54 Å) and three longer (2.64 Å) La–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 0.98 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 La3+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one La3+ and two H1+ atoms.},
doi = {10.17188/1264882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}