Materials Data on Mo(NO2)2 by Materials Project
Abstract
MoO4N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four MoO4N2 clusters. Mo6+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.11 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one O2- atom. The N–O bond length is 1.31 Å. In the second N1+ site, N1+ is bonded in a distorted single-bond geometry to one O2- atom. The N–O bond length is 1.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211092
- 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; Mo(NO2)2; Mo-N-O
- OSTI Identifier:
- 1695296
- DOI:
- https://doi.org/10.17188/1695296
Citation Formats
The Materials Project. Materials Data on Mo(NO2)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695296.
The Materials Project. Materials Data on Mo(NO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1695296
The Materials Project. 2019.
"Materials Data on Mo(NO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1695296. https://www.osti.gov/servlets/purl/1695296. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695296,
title = {Materials Data on Mo(NO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MoO4N2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four MoO4N2 clusters. Mo6+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.11 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one O2- atom. The N–O bond length is 1.31 Å. In the second N1+ site, N1+ is bonded in a distorted single-bond geometry to one O2- atom. The N–O bond length is 1.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom.},
doi = {10.17188/1695296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}