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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-565400
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ReAsC5SNO5F7; As-C-F-N-O-Re-S
OSTI Identifier:
1272497
DOI:
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:10.17188/1272497.
The Materials Project. 2020. "Materials Data on ReAsC5SNO5F7 by Materials Project". United States. doi: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 = {2020},
month = {4}
}

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