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Title: Materials Data on KCSeN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274837· OSTI ID:1274837

KSeCN crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to three equivalent N3- and three equivalent Se2- atoms. There are a spread of K–N bond distances ranging from 2.85–3.10 Å. There are a spread of K–Se bond distances ranging from 3.48–3.55 Å. C4+ is bonded in a distorted single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.19 Å. The C–Se bond length is 1.80 Å. N3- is bonded in a 1-coordinate geometry to three equivalent K1+ and one C4+ atom. Se2- is bonded to three equivalent K1+ and one C4+ atom to form distorted corner-sharing SeK3C trigonal pyramids.

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:
1274837
Report Number(s):
mp-568943
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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