U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeSb4C6(O3F11)2 by Materials Project
Abstract
Fe(CO)6(Sb2F11)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two iron molecules, and four Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+1.75+ sites. In the first Sb+1.75+ site, Sb+1.75+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 Å. In the second Sb+1.75+ site, Sb+1.75+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+1.75+ atoms. In the sixth F1- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-19590
- 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; FeSb4C6(O3F11)2; C-F-Fe-O-Sb
- OSTI Identifier:
- 1194794
- DOI:
- https://doi.org/10.17188/1194794
Citation Formats
The Materials Project. Materials Data on FeSb4C6(O3F11)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194794.
The Materials Project. Materials Data on FeSb4C6(O3F11)2 by Materials Project. United States. doi:https://doi.org/10.17188/1194794
The Materials Project. 2020.
"Materials Data on FeSb4C6(O3F11)2 by Materials Project". United States. doi:https://doi.org/10.17188/1194794. https://www.osti.gov/servlets/purl/1194794. Pub date:Fri Apr 24 00:00:00 EDT 2020
@article{osti_1194794,
title = {Materials Data on FeSb4C6(O3F11)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(CO)6(Sb2F11)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules, two iron molecules, and four Sb2F11 clusters. In each Sb2F11 cluster, there are two inequivalent Sb+1.75+ sites. In the first Sb+1.75+ site, Sb+1.75+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.06 Å. In the second Sb+1.75+ site, Sb+1.75+ is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Sb+1.75+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb+1.75+ atom.},
doi = {10.17188/1194794},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Apr 24 00:00:00 EDT 2020},
month = {Fri Apr 24 00:00:00 EDT 2020}
}