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Title: Materials Data on CoPNO10 by Materials Project

Abstract

CoO3OPO4NO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two nitrous acid molecules; two CoO3 clusters; and two OPO4 ribbons oriented in the (1, 0, 0) direction. In each CoO3 cluster, Co is bonded in a trigonal planar geometry to three O atoms. All Co–O bond lengths are 1.59 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a single-bond geometry to one Co atom. In each OPO4 ribbon, P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.48 Å) and two longer (1.77 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.44 Å. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to onemore » P and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193391
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; CoPNO10; Co-N-O-P
OSTI Identifier:
1731307
DOI:
https://doi.org/10.17188/1731307

Citation Formats

The Materials Project. Materials Data on CoPNO10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731307.
The Materials Project. Materials Data on CoPNO10 by Materials Project. United States. doi:https://doi.org/10.17188/1731307
The Materials Project. 2019. "Materials Data on CoPNO10 by Materials Project". United States. doi:https://doi.org/10.17188/1731307. https://www.osti.gov/servlets/purl/1731307. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1731307,
title = {Materials Data on CoPNO10 by Materials Project},
author = {The Materials Project},
abstractNote = {CoO3OPO4NO2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two nitrous acid molecules; two CoO3 clusters; and two OPO4 ribbons oriented in the (1, 0, 0) direction. In each CoO3 cluster, Co is bonded in a trigonal planar geometry to three O atoms. All Co–O bond lengths are 1.59 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a single-bond geometry to one Co atom. In each OPO4 ribbon, P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.48 Å) and two longer (1.77 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent O atoms. Both O–O bond lengths are 1.44 Å. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one P and one O atom.},
doi = {10.17188/1731307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}