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Title: Materials Data on Cd(NO3)2 by Materials Project

Abstract

Cd(NO3)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.35–2.43 Å. In the second Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.35–2.44 Å. There are four inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are twelve inequivalent O2- sites. In the first O2-more » site, O2- is bonded in a distorted water-like geometry to one Cd2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-27198
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; Cd(NO3)2; Cd-N-O
OSTI Identifier:
1201405
DOI:
https://doi.org/10.17188/1201405

Citation Formats

The Materials Project. Materials Data on Cd(NO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201405.
The Materials Project. Materials Data on Cd(NO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1201405
The Materials Project. 2020. "Materials Data on Cd(NO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1201405. https://www.osti.gov/servlets/purl/1201405. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201405,
title = {Materials Data on Cd(NO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(NO3)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.35–2.43 Å. In the second Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.35–2.44 Å. There are four inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Cd2+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one N5+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cd2+ and one N5+ atom.},
doi = {10.17188/1201405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}