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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1209085
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; SnHBr3N; Br-H-N-Sn
OSTI Identifier:
1684405
DOI:
https://doi.org/10.17188/1684405

Citation Formats

The Materials Project. Materials Data on SnHBr3N by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684405.
The Materials Project. Materials Data on SnHBr3N by Materials Project. United States. doi:https://doi.org/10.17188/1684405
The Materials Project. 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:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684405,
title = {Materials Data on SnHBr3N by Materials Project},
author = {The 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}
}