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Title: Materials Data on CdC2S2(NO)6 by Materials Project

Abstract

Cd(NO3)2(CN2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfanylcyanamide molecules and two Cd(NO3)2 clusters. In each Cd(NO3)2 cluster, Cd2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are two shorter (2.26 Å) and two longer (2.31 Å) Cd–O bond lengths. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Cd2+ and one N1+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Cd2+ and one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1214165
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; CdC2S2(NO)6; C-Cd-N-O-S
OSTI Identifier:
1708652
DOI:
https://doi.org/10.17188/1708652

Citation Formats

The Materials Project. Materials Data on CdC2S2(NO)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708652.
The Materials Project. Materials Data on CdC2S2(NO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1708652
The Materials Project. 2020. "Materials Data on CdC2S2(NO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1708652. https://www.osti.gov/servlets/purl/1708652. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1708652,
title = {Materials Data on CdC2S2(NO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(NO3)2(CN2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four sulfanylcyanamide molecules and two Cd(NO3)2 clusters. In each Cd(NO3)2 cluster, Cd2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are two shorter (2.26 Å) and two longer (2.31 Å) Cd–O bond lengths. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Cd2+ and one N1+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Cd2+ and one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom.},
doi = {10.17188/1708652},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}