U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsS2XeN2F13 by Materials Project
Abstract
XeN2S2F7AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeN2S2F7 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeN2S2F7 cluster, Xe is bonded in a linear geometry to two N atoms. There are one shorter (2.18 Å) and one longer (2.56 Å) Xe–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a bent 120 degrees geometrymore »
- Publication Date:
- Other Number(s):
- mp-1201063
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-F-N-S-Xe; AsS2XeN2F13; crystal structure
- OSTI Identifier:
- 1744759
- DOI:
- https://doi.org/10.17188/1744759
Citation Formats
Materials Data on AsS2XeN2F13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744759.
Materials Data on AsS2XeN2F13 by Materials Project. United States. doi:https://doi.org/10.17188/1744759
2020.
"Materials Data on AsS2XeN2F13 by Materials Project". United States. doi:https://doi.org/10.17188/1744759. https://www.osti.gov/servlets/purl/1744759. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744759,
title = {Materials Data on AsS2XeN2F13 by Materials Project},
abstractNote = {XeN2S2F7AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeN2S2F7 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.77–1.79 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeN2S2F7 cluster, Xe is bonded in a linear geometry to two N atoms. There are one shorter (2.18 Å) and one longer (2.56 Å) Xe–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a bent 120 degrees geometry to one Xe and one S atom. The N–S bond length is 1.56 Å. In the second N site, N is bonded in a distorted single-bond geometry to one Xe and one S atom. The N–S bond length is 1.42 Å. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal bipyramidal geometry to one N and four F atoms. There are a spread of S–F bond distances ranging from 1.57–1.63 Å. In the second S site, S is bonded in a distorted trigonal pyramidal geometry to one N and three F atoms. All S–F bond lengths are 1.57 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one S atom. In the second F site, F is bonded in a single-bond geometry to one S atom. In the third F site, F is bonded in a single-bond geometry to one S atom. In the fourth F site, F is bonded in a single-bond geometry to one S atom. In the fifth F site, F is bonded in a single-bond geometry to one S atom. In the sixth F site, F is bonded in a single-bond geometry to one S atom. In the seventh F site, F is bonded in a single-bond geometry to one S atom.},
doi = {10.17188/1744759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}