Materials Data on Cr(NO2)2 by Materials Project
Cr(NO2)2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of two Cr(NO2)2 clusters. In one of the Cr(NO2)2 clusters, Cr6+ is bonded in a 1-coordinate geometry to two N1+ and three O2- atoms. There is one shorter (1.90 Å) and one longer (1.98 Å) Cr–N bond length. There is one shorter (1.59 Å) and two longer (1.89 Å) Cr–O bond length. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted water-like geometry to one Cr6+ and two equivalent O2- atoms. Both N–O bond lengths are 1.40 Å. In the second N1+ site, N1+ is bonded in a distorted single-bond geometry to one Cr6+ and one O2- atom. The N–O bond length is 1.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cr6+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In one of the Cr(NO2)2 clusters, Cr6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Cr–O bond distances ranging from 1.63–2.15 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.20 Å. In the second N1+ site, N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cr6+ and one N1+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cr6+ and one N1+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1707642
- Report Number(s):
- mp-1105410
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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