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Title: Materials Data on CoAu2(CN)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275435· OSTI ID:1275435

CoAu2(CN)4 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional and consists of two CoAu2(CN)4 frameworks. Co2+ is bonded in a tetrahedral geometry to four N3- atoms. All Co–N bond lengths are 1.93 Å. Au1+ is bonded in a distorted linear geometry to two C2+ atoms. Both Au–C bond lengths are 1.99 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Co2+ and one C2+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Co2+ 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:
1275435
Report Number(s):
mp-570037
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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