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Title: Materials Data on Cu2NO6 by Materials Project

Abstract

Cu2NO6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Cu2NO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.81–2.51 Å. In the second Cu site, Cu is bonded to six O atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.88–2.38 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.24 Å) and one longer (1.30 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Cu and one N atom. In the fifth O site, O is bonded inmore » a trigonal non-coplanar geometry to three Cu atoms. In the sixth O site, O is bonded in a single-bond geometry to one N atom.« less

Publication Date:
Other Number(s):
mp-1213046
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cu2NO6; Cu-N-O
OSTI Identifier:
1685382
DOI:
https://doi.org/10.17188/1685382

Citation Formats

The Materials Project. Materials Data on Cu2NO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685382.
The Materials Project. Materials Data on Cu2NO6 by Materials Project. United States. doi:https://doi.org/10.17188/1685382
The Materials Project. 2020. "Materials Data on Cu2NO6 by Materials Project". United States. doi:https://doi.org/10.17188/1685382. https://www.osti.gov/servlets/purl/1685382. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685382,
title = {Materials Data on Cu2NO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2NO6 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one Cu2NO6 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.81–2.51 Å. In the second Cu site, Cu is bonded to six O atoms to form distorted edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.88–2.38 Å. N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.24 Å) and one longer (1.30 Å) N–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to three Cu atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Cu and one N atom. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. In the sixth O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1685382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}