Materials Data on PtC8(SF3)4 by Materials Project
Abstract
PtC6(S2F3)2(CF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two PtC6(S2F3)2 clusters. In each PtC6(S2F3)2 cluster, Pt2- is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.26 Å) and two longer (2.27 Å) Pt–S bond lengths. There are three inequivalent C+2.75+ sites. In the first C+2.75+ site, C+2.75+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the second C+2.75+ site, C+2.75+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the third C+2.75+ site, C+2.75+ is bonded in a trigonal non-coplanar geometry to three F1- atoms. All C–F bond lengths are 1.36 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Pt2- and one C+2.75+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Pt2-, one C+2.75+, and one F1- atom. The S–F bond length is 2.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1200138
- 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; PtC8(SF3)4; C-F-Pt-S
- OSTI Identifier:
- 1653707
- DOI:
- https://doi.org/10.17188/1653707
Citation Formats
The Materials Project. Materials Data on PtC8(SF3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1653707.
The Materials Project. Materials Data on PtC8(SF3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1653707
The Materials Project. 2020.
"Materials Data on PtC8(SF3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1653707. https://www.osti.gov/servlets/purl/1653707. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1653707,
title = {Materials Data on PtC8(SF3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {PtC6(S2F3)2(CF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two PtC6(S2F3)2 clusters. In each PtC6(S2F3)2 cluster, Pt2- is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.26 Å) and two longer (2.27 Å) Pt–S bond lengths. There are three inequivalent C+2.75+ sites. In the first C+2.75+ site, C+2.75+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the second C+2.75+ site, C+2.75+ is bonded in a distorted single-bond geometry to one S2- atom. The C–S bond length is 1.70 Å. In the third C+2.75+ site, C+2.75+ is bonded in a trigonal non-coplanar geometry to three F1- atoms. All C–F bond lengths are 1.36 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Pt2- and one C+2.75+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Pt2-, one C+2.75+, and one F1- atom. The S–F bond length is 2.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+2.75+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+2.75+ and one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C+2.75+ atom.},
doi = {10.17188/1653707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}