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

Dataset ·
DOI:https://doi.org/10.17188/1192547· OSTI ID:1192547

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1192547
Report Number(s):
mp-17509
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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