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Title: Materials Data on Ru(IN3)2 by Materials Project

Abstract

Ru(N3I)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ru4+ is bonded in a 5-coordinate geometry to five N+0.33- atoms. There is one shorter (1.69 Å) and four longer (1.98 Å) Ru–N bond length. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 3.12 Å. Both N–I bond lengths are 2.16 Å. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 2.95 Å. Both N–I bond lengths are 2.16 Å. In the third N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Ru4+ atom. In the fourth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 2.86 Å. Both N–I bond lengths are 2.16 Å. In the fifth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 3.02 Å. Both N–I bond lengths are 2.16more » Å. In the sixth N+0.33- site, N+0.33- is bonded in a 12-coordinate geometry to four N+0.33- and four I1- atoms. There are a spread of N–I bond distances ranging from 3.21–3.44 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to six N+0.33- atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to six N+0.33- atoms.« less

Publication Date:
Other Number(s):
mp-1179668
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; Ru(IN3)2; I-N-Ru
OSTI Identifier:
1709723
DOI:
https://doi.org/10.17188/1709723

Citation Formats

The Materials Project. Materials Data on Ru(IN3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1709723.
The Materials Project. Materials Data on Ru(IN3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1709723
The Materials Project. 2019. "Materials Data on Ru(IN3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1709723. https://www.osti.gov/servlets/purl/1709723. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1709723,
title = {Materials Data on Ru(IN3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ru(N3I)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Ru4+ is bonded in a 5-coordinate geometry to five N+0.33- atoms. There is one shorter (1.69 Å) and four longer (1.98 Å) Ru–N bond length. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 3.12 Å. Both N–I bond lengths are 2.16 Å. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 2.95 Å. Both N–I bond lengths are 2.16 Å. In the third N+0.33- site, N+0.33- is bonded in a single-bond geometry to one Ru4+ atom. In the fourth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 2.86 Å. Both N–I bond lengths are 2.16 Å. In the fifth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ru4+, one N+0.33-, and two I1- atoms. The N–N bond length is 3.02 Å. Both N–I bond lengths are 2.16 Å. In the sixth N+0.33- site, N+0.33- is bonded in a 12-coordinate geometry to four N+0.33- and four I1- atoms. There are a spread of N–I bond distances ranging from 3.21–3.44 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to six N+0.33- atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to six N+0.33- atoms.},
doi = {10.17188/1709723},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}