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Title: Materials Data on Li3Rh(N3O8)2 by Materials Project

Abstract

RhLi3(N3O8)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two rhodium molecules and two Li3(N3O8)2 clusters. In each Li3(N3O8)2 cluster, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. In the second Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. All Li–O bond lengths are 2.05 Å. There are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.27 Å) N–O bond length. In the second N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the third N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded inmore » a bent 120 degrees geometry to one Li1+ and one N+4.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+4.33+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one N+4.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one N+4.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Li1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Li1+ atom.« less

Publication Date:
Other Number(s):
mp-1222915
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; Li3Rh(N3O8)2; Li-N-O-Rh
OSTI Identifier:
1729526
DOI:
https://doi.org/10.17188/1729526

Citation Formats

The Materials Project. Materials Data on Li3Rh(N3O8)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729526.
The Materials Project. Materials Data on Li3Rh(N3O8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1729526
The Materials Project. 2020. "Materials Data on Li3Rh(N3O8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1729526. https://www.osti.gov/servlets/purl/1729526. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1729526,
title = {Materials Data on Li3Rh(N3O8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RhLi3(N3O8)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two rhodium molecules and two Li3(N3O8)2 clusters. In each Li3(N3O8)2 cluster, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. In the second Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. All Li–O bond lengths are 2.05 Å. There are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.27 Å) N–O bond length. In the second N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the third N+4.33+ site, N+4.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+4.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+4.33+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one N+4.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one N+4.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Li1+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+4.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Li1+ atom.},
doi = {10.17188/1729526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}