Materials Data on ReAsC5SNO5F7 by Materials Project
Abstract
ReNSF(CO)5AsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules, four AsF6 clusters, and four ReNSF clusters. In each AsF6 cluster, As3- is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In each ReNSF cluster, Re5+ is bonded in a single-bond geometry to one N3- atom. The Re–N bond length is 2.07 Å. N3- is bonded in a distorted bent 150 degrees geometry to one Re5+ and one S2- atom. The N–S bond length ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-565400
- 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; ReAsC5SNO5F7; As-C-F-N-O-Re-S
- OSTI Identifier:
- 1272497
- DOI:
- https://doi.org/10.17188/1272497
Citation Formats
The Materials Project. Materials Data on ReAsC5SNO5F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272497.
The Materials Project. Materials Data on ReAsC5SNO5F7 by Materials Project. United States. doi:https://doi.org/10.17188/1272497
The Materials Project. 2020.
"Materials Data on ReAsC5SNO5F7 by Materials Project". United States. doi:https://doi.org/10.17188/1272497. https://www.osti.gov/servlets/purl/1272497. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1272497,
title = {Materials Data on ReAsC5SNO5F7 by Materials Project},
author = {The Materials Project},
abstractNote = {ReNSF(CO)5AsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of twenty formaldehyde molecules, four AsF6 clusters, and four ReNSF clusters. In each AsF6 cluster, As3- is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.77 Å) and two longer (1.78 Å) As–F bond length. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3- atom. In each ReNSF cluster, Re5+ is bonded in a single-bond geometry to one N3- atom. The Re–N bond length is 2.07 Å. N3- is bonded in a distorted bent 150 degrees geometry to one Re5+ and one S2- atom. The N–S bond length is 1.44 Å. S2- is bonded in a distorted bent 120 degrees geometry to one N3- and one F1- atom. The S–F bond length is 1.69 Å. F1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1272497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}