U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sn2BF7 by Materials Project
Abstract
BF4Sn2F3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four BF4 clusters and two Sn2F3 ribbons oriented in the (1, 0, 0) direction. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is three shorter (1.42 Å) and one longer (1.43 Å) B–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In each Sn2F3 ribbon, there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are one shorter (2.13 Å) and two longer (2.15 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Sn–F bond distances ranging from 2.14–2.18 Å. There aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-27430
- 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; Sn2BF7; B-F-Sn
- OSTI Identifier:
- 1201647
- DOI:
- https://doi.org/10.17188/1201647
Citation Formats
The Materials Project. Materials Data on Sn2BF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201647.
The Materials Project. Materials Data on Sn2BF7 by Materials Project. United States. doi:https://doi.org/10.17188/1201647
The Materials Project. 2020.
"Materials Data on Sn2BF7 by Materials Project". United States. doi:https://doi.org/10.17188/1201647. https://www.osti.gov/servlets/purl/1201647. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201647,
title = {Materials Data on Sn2BF7 by Materials Project},
author = {The Materials Project},
abstractNote = {BF4Sn2F3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four BF4 clusters and two Sn2F3 ribbons oriented in the (1, 0, 0) direction. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is three shorter (1.42 Å) and one longer (1.43 Å) B–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In each Sn2F3 ribbon, there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are one shorter (2.13 Å) and two longer (2.15 Å) Sn–F bond lengths. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Sn–F bond distances ranging from 2.14–2.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two Sn2+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Sn2+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two Sn2+ atoms.},
doi = {10.17188/1201647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}