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Title: Materials Data on OsBrN5Cl2O by Materials Project

Abstract

OsN5OCl2Br crystallizes in the tetragonal I4mm space group. The structure is three-dimensional and consists of two hydrobromic acid molecules and one OsN5OCl2 framework. In the OsN5OCl2 framework, Os6+ is bonded in a square pyramidal geometry to five N+1.40- atoms. There is one shorter (1.88 Å) and four longer (1.93 Å) Os–N bond length. There are two inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a linear geometry to one Os6+, one O2-, and four equivalent Cl1- atoms. The N–O bond length is 1.15 Å. All N–Cl bond lengths are 3.18 Å. In the second N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Os6+ and four equivalent Cl1- atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) N–Cl bond lengths. O2- is bonded in a single-bond geometry to one N+1.40- and four equivalent Cl1- atoms. All O–Cl bond lengths are 3.34 Å. Cl1- is bonded in a 12-coordinate geometry to ten N+1.40- and two equivalent O2- atoms.

Publication Date:
Other Number(s):
mp-1078848
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; OsBrN5Cl2O; Br-Cl-N-O-Os
OSTI Identifier:
1655907
DOI:
https://doi.org/10.17188/1655907

Citation Formats

The Materials Project. Materials Data on OsBrN5Cl2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655907.
The Materials Project. Materials Data on OsBrN5Cl2O by Materials Project. United States. doi:https://doi.org/10.17188/1655907
The Materials Project. 2020. "Materials Data on OsBrN5Cl2O by Materials Project". United States. doi:https://doi.org/10.17188/1655907. https://www.osti.gov/servlets/purl/1655907. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1655907,
title = {Materials Data on OsBrN5Cl2O by Materials Project},
author = {The Materials Project},
abstractNote = {OsN5OCl2Br crystallizes in the tetragonal I4mm space group. The structure is three-dimensional and consists of two hydrobromic acid molecules and one OsN5OCl2 framework. In the OsN5OCl2 framework, Os6+ is bonded in a square pyramidal geometry to five N+1.40- atoms. There is one shorter (1.88 Å) and four longer (1.93 Å) Os–N bond length. There are two inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a linear geometry to one Os6+, one O2-, and four equivalent Cl1- atoms. The N–O bond length is 1.15 Å. All N–Cl bond lengths are 3.18 Å. In the second N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Os6+ and four equivalent Cl1- atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) N–Cl bond lengths. O2- is bonded in a single-bond geometry to one N+1.40- and four equivalent Cl1- atoms. All O–Cl bond lengths are 3.34 Å. Cl1- is bonded in a 12-coordinate geometry to ten N+1.40- and two equivalent O2- atoms.},
doi = {10.17188/1655907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}