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Title: Materials Data on FeCN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274137· OSTI ID:1274137

FeNCN crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N3- atoms to form edge-sharing FeN6 octahedra. All Fe–N bond lengths are 2.18 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe2+ and one C4+ 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:
1274137
Report Number(s):
mp-567933
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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