U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr3(NO5)2 by Materials Project
Abstract
Cr3O10N2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and six Cr3O10 clusters. In each Cr3O10 cluster, there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.63–1.78 Å. In the second Cr6+ site, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There is two shorter (1.59 Å) and two longer (1.77 Å) Cr–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cr6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.
- Publication Date:
- Other Number(s):
- mp-1204126
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cr-N-O; Cr3(NO5)2; crystal structure
- OSTI Identifier:
- 1720464
- DOI:
- https://doi.org/10.17188/1720464
Citation Formats
Materials Data on Cr3(NO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1720464.
Materials Data on Cr3(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1720464
2020.
"Materials Data on Cr3(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1720464. https://www.osti.gov/servlets/purl/1720464. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1720464,
title = {Materials Data on Cr3(NO5)2 by Materials Project},
abstractNote = {Cr3O10N2 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of twelve ammonia molecules and six Cr3O10 clusters. In each Cr3O10 cluster, there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.63–1.78 Å. In the second Cr6+ site, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There is two shorter (1.59 Å) and two longer (1.77 Å) Cr–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cr6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1720464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}