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Title: Materials Data on Cr3N2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1654365· OSTI ID:1654365

Cr3N2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Cr3N2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both Cr–N bond lengths are 1.80 Å. In the second Cr2+ site, Cr2+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both Cr–N bond lengths are 1.80 Å. N3- is bonded in a trigonal planar geometry to three Cr2+ atoms.

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:
1654365
Report Number(s):
mp-1097803
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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