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Title: Materials Data on RbCoH24(C7N4)2 by Materials Project

Abstract

RbCo(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one RbCo(CN)6 framework. In the RbCo(CN)6 framework, Rb1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.14 Å) and four longer (3.30 Å) Rb–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. There is two shorter (1.88 Å) and four longer (1.89 Å) Co–C bond length. There are five inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. In the third C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+0.14- site, C+0.14- ismore » bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the third N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. The N–C bond length is 1.17 Å.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-698210
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbCoH24(C7N4)2; C-Co-H-N-Rb
OSTI Identifier:
1285302
DOI:
10.17188/1285302

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbCoH24(C7N4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285302.
Persson, Kristin, & Project, Materials. Materials Data on RbCoH24(C7N4)2 by Materials Project. United States. doi:10.17188/1285302.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbCoH24(C7N4)2 by Materials Project". United States. doi:10.17188/1285302. https://www.osti.gov/servlets/purl/1285302. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285302,
title = {Materials Data on RbCoH24(C7N4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbCo(CN)6(N(CH3)4)2 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one RbCo(CN)6 framework. In the RbCo(CN)6 framework, Rb1+ is bonded in an octahedral geometry to six N3- atoms. There are two shorter (3.14 Å) and four longer (3.30 Å) Rb–N bond lengths. Co1+ is bonded in an octahedral geometry to six C+0.14- atoms. There is two shorter (1.88 Å) and four longer (1.89 Å) Co–C bond length. There are five inequivalent C+0.14- sites. In the first C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. In the third C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fourth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–N bond length is 1.17 Å. In the fifth C+0.14- site, C+0.14- is bonded in a linear geometry to one Co1+ and one N3- atom. The C–Co bond length is 1.89 Å. The C–N bond length is 1.17 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the second N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the third N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. In the fourth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. In the fifth N3- site, N3- is bonded in a single-bond geometry to one Rb1+ and one C+0.14- atom. The N–Rb bond length is 3.30 Å. The N–C bond length is 1.17 Å.},
doi = {10.17188/1285302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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