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Title: Materials Data on CuH3(NO2)3 by Materials Project

Abstract

Cu(NO3)2NH3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules and one Cu(NO3)2 sheet oriented in the (1, 0, 0) direction. In the Cu(NO3)2 sheet, Cu2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.99–2.37 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.32 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.29 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and onemore » N+2.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one N+2.33+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-707464
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; CuH3(NO2)3; Cu-H-N-O
OSTI Identifier:
1286417
DOI:
https://doi.org/10.17188/1286417

Citation Formats

The Materials Project. Materials Data on CuH3(NO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286417.
The Materials Project. Materials Data on CuH3(NO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1286417
The Materials Project. 2020. "Materials Data on CuH3(NO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1286417. https://www.osti.gov/servlets/purl/1286417. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286417,
title = {Materials Data on CuH3(NO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu(NO3)2NH3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules and one Cu(NO3)2 sheet oriented in the (1, 0, 0) direction. In the Cu(NO3)2 sheet, Cu2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.99–2.37 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.32 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.29 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one N+2.33+ atom.},
doi = {10.17188/1286417},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}