U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnHBr3N by Materials Project
Abstract
SnNBr2HBr crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two HBr ribbons oriented in the (0, 1, 0) direction and one SnNBr2 ribbon oriented in the (0, 1, 0) direction. In each HBr ribbon, H1+ is bonded in a bent 150 degrees geometry to two equivalent Br1- atoms. Both H–Br bond lengths are 1.84 Å. Br1- is bonded in a bent 150 degrees geometry to two equivalent H1+ atoms. In the SnNBr2 ribbon, Sn4+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (2.55 Å) and two longer (2.76 Å) Sn–Br bond lengths. N2- is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of N–Br bond distances ranging from 3.33–3.64 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ and two equivalent N2- atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Sn4+ and three equivalent N2- atoms.
- Publication Date:
- Other Number(s):
- mp-1209085
- 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; Br-H-N-Sn; SnHBr3N; crystal structure
- OSTI Identifier:
- 1684405
- DOI:
- https://doi.org/10.17188/1684405
Citation Formats
Materials Data on SnHBr3N by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1684405.
Materials Data on SnHBr3N by Materials Project. United States. doi:https://doi.org/10.17188/1684405
2019.
"Materials Data on SnHBr3N by Materials Project". United States. doi:https://doi.org/10.17188/1684405. https://www.osti.gov/servlets/purl/1684405. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1684405,
title = {Materials Data on SnHBr3N by Materials Project},
abstractNote = {SnNBr2HBr crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two HBr ribbons oriented in the (0, 1, 0) direction and one SnNBr2 ribbon oriented in the (0, 1, 0) direction. In each HBr ribbon, H1+ is bonded in a bent 150 degrees geometry to two equivalent Br1- atoms. Both H–Br bond lengths are 1.84 Å. Br1- is bonded in a bent 150 degrees geometry to two equivalent H1+ atoms. In the SnNBr2 ribbon, Sn4+ is bonded in a 3-coordinate geometry to three Br1- atoms. There are one shorter (2.55 Å) and two longer (2.76 Å) Sn–Br bond lengths. N2- is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of N–Br bond distances ranging from 3.33–3.64 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ and two equivalent N2- atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Sn4+ and three equivalent N2- atoms.},
doi = {10.17188/1684405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}