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

Abstract

KCd(NO2)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.01–3.43 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.65 Å) Cd–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Cd2+, and one N3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-11017
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; KCd(NO2)3; Cd-K-N-O
OSTI Identifier:
1187523
DOI:
https://doi.org/10.17188/1187523

Citation Formats

The Materials Project. Materials Data on KCd(NO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187523.
The Materials Project. Materials Data on KCd(NO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1187523
The Materials Project. 2020. "Materials Data on KCd(NO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1187523. https://www.osti.gov/servlets/purl/1187523. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187523,
title = {Materials Data on KCd(NO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {KCd(NO2)3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 3.01–3.43 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.49 Å) and three longer (2.65 Å) Cd–O bond lengths. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one N3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Cd2+, and one N3+ atom.},
doi = {10.17188/1187523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}