U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdC3S3(O2F)9 by Materials Project
Abstract
NdO9(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 NdO9 clusters. In each NdO9 cluster, Nd is bonded in a 6-coordinate geometry to six equivalent O atoms. All Nd–O bond lengths are 2.43 Å. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211666
- 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; NdC3S3(O2F)9; C-F-Nd-O-S
- OSTI Identifier:
- 1751398
- DOI:
- https://doi.org/10.17188/1751398
Citation Formats
The Materials Project. Materials Data on NdC3S3(O2F)9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751398.
The Materials Project. Materials Data on NdC3S3(O2F)9 by Materials Project. United States. doi:https://doi.org/10.17188/1751398
The Materials Project. 2020.
"Materials Data on NdC3S3(O2F)9 by Materials Project". United States. doi:https://doi.org/10.17188/1751398. https://www.osti.gov/servlets/purl/1751398. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1751398,
title = {Materials Data on NdC3S3(O2F)9 by Materials Project},
author = {The Materials Project},
abstractNote = {NdO9(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 NdO9 clusters. In each NdO9 cluster, Nd is bonded in a 6-coordinate geometry to six equivalent O atoms. All Nd–O bond lengths are 2.43 Å. There are two inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.},
doi = {10.17188/1751398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.