U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-744721
- 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; 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}
}