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Title: Materials Data on K3Cr(CN)6 by Materials Project

Abstract

K3Cr(CN)6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of four chromium molecules and one K(CN)2 framework. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.84–3.34 Å. In the second K1+ site, K1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.79–3.03 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinatemore » geometry to three K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and one C2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-645346
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; K3Cr(CN)6; C-Cr-K-N
OSTI Identifier:
1280538
DOI:
https://doi.org/10.17188/1280538

Citation Formats

The Materials Project. Materials Data on K3Cr(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280538.
The Materials Project. Materials Data on K3Cr(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1280538
The Materials Project. 2020. "Materials Data on K3Cr(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1280538. https://www.osti.gov/servlets/purl/1280538. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280538,
title = {Materials Data on K3Cr(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Cr(CN)6 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional and consists of four chromium molecules and one K(CN)2 framework. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.84–3.34 Å. In the second K1+ site, K1+ is bonded in an octahedral geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.79–3.03 Å. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C2+ atom. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and one C2+ atom.},
doi = {10.17188/1280538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}