U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiH7N2F5 by Materials Project
Abstract
NH4SiNH3F5 is lead oxide structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two ammonium molecules and two SiNH3F5 clusters. In each SiNH3F5 cluster, Si4+ is bonded in an octahedral geometry to one N3- and five F1- atoms. The Si–N bond length is 1.91 Å. There is one shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Si4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the fourthmore »
- Publication Date:
- Other Number(s):
- mp-1219374
- 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; F-H-N-Si; SiH7N2F5; crystal structure
- OSTI Identifier:
- 1691318
- DOI:
- https://doi.org/10.17188/1691318
Citation Formats
Materials Data on SiH7N2F5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1691318.
Materials Data on SiH7N2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1691318
2019.
"Materials Data on SiH7N2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1691318. https://www.osti.gov/servlets/purl/1691318. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1691318,
title = {Materials Data on SiH7N2F5 by Materials Project},
abstractNote = {NH4SiNH3F5 is lead oxide structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two ammonium molecules and two SiNH3F5 clusters. In each SiNH3F5 cluster, Si4+ is bonded in an octahedral geometry to one N3- and five F1- atoms. The Si–N bond length is 1.91 Å. There is one shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Si4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.},
doi = {10.17188/1691318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}