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Title: Materials Data on Zn3(NO5)2 by Materials Project

Abstract

Zn3(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Zn3(NO5)2 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.91–1.99 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.06 Å. In the third Zn site, Zn is bonded to six O atoms to form distorted edge-sharing ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.38 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the second N site, 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 ten inequivalent O sites. In the first O site, O is bonded in amore » 2-coordinate geometry to one Zn and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. 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 distorted trigonal non-coplanar geometry to three Zn atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Zn atoms. In the sixth O site, O is bonded in a 1-coordinate geometry to one Zn and one N atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1198332
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; Zn3(NO5)2; N-O-Zn
OSTI Identifier:
1742190
DOI:
https://doi.org/10.17188/1742190

Citation Formats

The Materials Project. Materials Data on Zn3(NO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742190.
The Materials Project. Materials Data on Zn3(NO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1742190
The Materials Project. 2020. "Materials Data on Zn3(NO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1742190. https://www.osti.gov/servlets/purl/1742190. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1742190,
title = {Materials Data on Zn3(NO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zn3(NO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Zn3(NO5)2 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.91–1.99 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.06 Å. In the third Zn site, Zn is bonded to six O atoms to form distorted edge-sharing ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.38 Å. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the second N site, 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 ten inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Zn and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. 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 distorted trigonal non-coplanar geometry to three Zn atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Zn atoms. In the sixth O site, O is bonded in a 1-coordinate geometry to one Zn and one N atom. In the seventh O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1742190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}