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Title: Materials Data on CoH4(NO4)2 by Materials Project

Abstract

CoH4(NO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one CoH4(NO4)2 sheet oriented in the (1, 0, 0) direction. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.09–2.14 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-likemore » geometry to one Co2+ and two H1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1192975
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; CoH4(NO4)2; Co-H-N-O
OSTI Identifier:
1689315
DOI:
https://doi.org/10.17188/1689315

Citation Formats

The Materials Project. Materials Data on CoH4(NO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689315.
The Materials Project. Materials Data on CoH4(NO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1689315
The Materials Project. 2019. "Materials Data on CoH4(NO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1689315. https://www.osti.gov/servlets/purl/1689315. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1689315,
title = {Materials Data on CoH4(NO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoH4(NO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one CoH4(NO4)2 sheet oriented in the (1, 0, 0) direction. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 2.09–2.14 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms.},
doi = {10.17188/1689315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}