DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na3Co(NO2)6 by Materials Project

Abstract

Na3Co(NO2)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three cobalt molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. There are six shorter (2.71 Å) and six longer (2.92 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are three shorter (2.35 Å) and three longer (2.37 Å) Na–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-19310
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; Na3Co(NO2)6; Co-N-Na-O
OSTI Identifier:
1194230
DOI:
https://doi.org/10.17188/1194230

Citation Formats

The Materials Project. Materials Data on Na3Co(NO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194230.
The Materials Project. Materials Data on Na3Co(NO2)6 by Materials Project. United States. doi:https://doi.org/10.17188/1194230
The Materials Project. 2020. "Materials Data on Na3Co(NO2)6 by Materials Project". United States. doi:https://doi.org/10.17188/1194230. https://www.osti.gov/servlets/purl/1194230. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1194230,
title = {Materials Data on Na3Co(NO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Co(NO2)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three cobalt molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. There are six shorter (2.71 Å) and six longer (2.92 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form a mixture of corner and face-sharing NaO6 octahedra. There are three shorter (2.35 Å) and three longer (2.37 Å) Na–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom.},
doi = {10.17188/1194230},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}