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Title: Materials Data on OsBr3N5O by Materials Project

Abstract

OsN5OBr2Br crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two hydrobromic acid molecules and two OsN5OBr2 sheets oriented in the (0, 0, 1) direction. In each OsN5OBr2 sheet, Os8+ is bonded in a square pyramidal geometry to five N3- atoms. There is one shorter (1.83 Å) and four longer (1.96 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Os8+ and two equivalent Br3+ atoms. Both N–Br bond lengths are 2.21 Å. O2- is bonded in a single-bond geometry to one N3- atom. Br3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1180015
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; OsBr3N5O; Br-N-O-Os
OSTI Identifier:
1689035
DOI:
https://doi.org/10.17188/1689035

Citation Formats

The Materials Project. Materials Data on OsBr3N5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689035.
The Materials Project. Materials Data on OsBr3N5O by Materials Project. United States. doi:https://doi.org/10.17188/1689035
The Materials Project. 2020. "Materials Data on OsBr3N5O by Materials Project". United States. doi:https://doi.org/10.17188/1689035. https://www.osti.gov/servlets/purl/1689035. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1689035,
title = {Materials Data on OsBr3N5O by Materials Project},
author = {The Materials Project},
abstractNote = {OsN5OBr2Br crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two hydrobromic acid molecules and two OsN5OBr2 sheets oriented in the (0, 0, 1) direction. In each OsN5OBr2 sheet, Os8+ is bonded in a square pyramidal geometry to five N3- atoms. There is one shorter (1.83 Å) and four longer (1.96 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Os8+ and two equivalent Br3+ atoms. Both N–Br bond lengths are 2.21 Å. O2- is bonded in a single-bond geometry to one N3- atom. Br3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms.},
doi = {10.17188/1689035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}