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Title: Materials Data on CrCo3H24C6(N10O11)3 by Materials Project

Abstract

(CrC6H24(N2O)6)2(Co(N3O4)2)6(O2)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six chromium;diaminomethylideneoxidanium molecules, eighteen water molecules, and eighteen Co(N3O4)2 clusters. In each Co(N3O4)2 cluster, Co is bonded in an octahedral geometry to six N atoms. There are a spread of Co–N bond distances ranging from 1.72–2.07 Å. There are six inequivalent N sites. In the first N site, N is bonded in a single-bond geometry to one Co atom. In the second N site, N is bonded in a single-bond geometry to one Co atom. In the third N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. Both N–O bond lengths are 1.24 Å. In the fourth N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the fifth N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. There is one shorter (1.22 Å) and one longer (1.23 Å) N–O bond length. In the sixth N site, N is bonded in a trigonal planar geometry to onemore » Co and two O atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) N–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom.« less

Publication Date:
Other Number(s):
mp-744721
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; CrCo3H24C6(N10O11)3; C-Co-Cr-H-N-O
OSTI Identifier:
1288310
DOI:
https://doi.org/10.17188/1288310

Citation Formats

The Materials Project. Materials Data on CrCo3H24C6(N10O11)3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1288310.
The Materials Project. Materials Data on CrCo3H24C6(N10O11)3 by Materials Project. United States. doi:https://doi.org/10.17188/1288310
The Materials Project. 2014. "Materials Data on CrCo3H24C6(N10O11)3 by Materials Project". United States. doi:https://doi.org/10.17188/1288310. https://www.osti.gov/servlets/purl/1288310. Pub date:Sun Jan 19 00:00:00 EST 2014
@article{osti_1288310,
title = {Materials Data on CrCo3H24C6(N10O11)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(CrC6H24(N2O)6)2(Co(N3O4)2)6(O2)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six chromium;diaminomethylideneoxidanium molecules, eighteen water molecules, and eighteen Co(N3O4)2 clusters. In each Co(N3O4)2 cluster, Co is bonded in an octahedral geometry to six N atoms. There are a spread of Co–N bond distances ranging from 1.72–2.07 Å. There are six inequivalent N sites. In the first N site, N is bonded in a single-bond geometry to one Co atom. In the second N site, N is bonded in a single-bond geometry to one Co atom. In the third N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. Both N–O bond lengths are 1.24 Å. In the fourth N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) N–O bond length. In the fifth N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. There is one shorter (1.22 Å) and one longer (1.23 Å) N–O bond length. In the sixth N site, N is bonded in a trigonal planar geometry to one Co and two O atoms. There is one shorter (1.23 Å) and one longer (1.25 Å) N–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1288310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {1}
}