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Title: Materials Data on Cs2(CoN8)3 by Materials Project

Abstract

Cs2(CoN8)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.17–3.68 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six N+0.33- atoms to form edge-sharing CoN6 octahedra. There are a spread of Co–N bond distances ranging from 2.10–2.20 Å. In the second Co2+ site, Co2+ is bonded to six N+0.33- atoms to form edge-sharing CoN6 octahedra. There are a spread of Co–N bond distances ranging from 2.02–2.34 Å. There are twelve inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.20 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to one Cs1+ and two N+0.33- atoms. There is one shorter (1.18 Å) and one longer (1.19 Å) N–N bond length. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Co2+ and one N+0.33- atom. The N–N bond length is 1.21 Å. In the fourth N+0.33-more » site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the fifth N+0.33- site, N+0.33- is bonded to three Co2+ and one N+0.33- atom to form a mixture of distorted edge and corner-sharing NCo3N tetrahedra. The N–N bond length is 1.21 Å. In the sixth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Co2+ and one N+0.33- atom. In the eighth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one N+0.33- atom. In the ninth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cs1+, one Co2+, and one N+0.33- atom. In the tenth N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to one Co2+ and one N+0.33- atom. In the eleventh N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the twelfth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1203769
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; Cs2(CoN8)3; Co-Cs-N
OSTI Identifier:
1694746
DOI:
https://doi.org/10.17188/1694746

Citation Formats

The Materials Project. Materials Data on Cs2(CoN8)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694746.
The Materials Project. Materials Data on Cs2(CoN8)3 by Materials Project. United States. doi:https://doi.org/10.17188/1694746
The Materials Project. 2020. "Materials Data on Cs2(CoN8)3 by Materials Project". United States. doi:https://doi.org/10.17188/1694746. https://www.osti.gov/servlets/purl/1694746. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1694746,
title = {Materials Data on Cs2(CoN8)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2(CoN8)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.17–3.68 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six N+0.33- atoms to form edge-sharing CoN6 octahedra. There are a spread of Co–N bond distances ranging from 2.10–2.20 Å. In the second Co2+ site, Co2+ is bonded to six N+0.33- atoms to form edge-sharing CoN6 octahedra. There are a spread of Co–N bond distances ranging from 2.02–2.34 Å. There are twelve inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.20 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to one Cs1+ and two N+0.33- atoms. There is one shorter (1.18 Å) and one longer (1.19 Å) N–N bond length. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Co2+ and one N+0.33- atom. The N–N bond length is 1.21 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the fifth N+0.33- site, N+0.33- is bonded to three Co2+ and one N+0.33- atom to form a mixture of distorted edge and corner-sharing NCo3N tetrahedra. The N–N bond length is 1.21 Å. In the sixth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to three equivalent Cs1+ and one N+0.33- atom. The N–N bond length is 1.17 Å. In the seventh N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two Co2+ and one N+0.33- atom. In the eighth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one N+0.33- atom. In the ninth N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cs1+, one Co2+, and one N+0.33- atom. In the tenth N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to one Co2+ and one N+0.33- atom. In the eleventh N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. In the twelfth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms.},
doi = {10.17188/1694746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}