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Title: Materials Data on Rb2NaCr(CN)6 by Materials Project

Abstract

Rb2Na(CN)6Cr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two chromium molecules and one Rb2Na(CN)6 framework. In the Rb2Na(CN)6 framework, Rb1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.07–3.44 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.53 Å) and two longer (2.57 Å) Na–N bond lengths. 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 2-coordinate geometry to two equivalent Rb1+, one Na1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one C2+ atom. Inmore » the third N3- site, N3- is bonded in a 2-coordinate geometry to one Rb1+, one Na1+, and one C2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17509
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; Rb2NaCr(CN)6; C-Cr-N-Na-Rb
OSTI Identifier:
1192547
DOI:
https://doi.org/10.17188/1192547

Citation Formats

The Materials Project. Materials Data on Rb2NaCr(CN)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192547.
The Materials Project. Materials Data on Rb2NaCr(CN)6 by Materials Project. United States. doi:https://doi.org/10.17188/1192547
The Materials Project. 2020. "Materials Data on Rb2NaCr(CN)6 by Materials Project". United States. doi:https://doi.org/10.17188/1192547. https://www.osti.gov/servlets/purl/1192547. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192547,
title = {Materials Data on Rb2NaCr(CN)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Na(CN)6Cr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two chromium molecules and one Rb2Na(CN)6 framework. In the Rb2Na(CN)6 framework, Rb1+ is bonded in a 2-coordinate geometry to five N3- atoms. There are a spread of Rb–N bond distances ranging from 3.07–3.44 Å. Na1+ is bonded in an octahedral geometry to six N3- atoms. There are four shorter (2.53 Å) and two longer (2.57 Å) Na–N bond lengths. 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 2-coordinate geometry to two equivalent Rb1+, one Na1+, and one C2+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Na1+, and one C2+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one Rb1+, one Na1+, and one C2+ atom.},
doi = {10.17188/1192547},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}