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Title: Materials Data on MoN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1725329· OSTI ID:1725329

MoN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing MoN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 44°. All Mo–N bond lengths are 2.16 Å. In the second Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing MoN6 octahedra. All Mo–N bond lengths are 2.22 Å. N3- is bonded to six Mo3+ atoms to form a mixture of distorted corner, edge, and face-sharing NMo6 pentagonal 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:
1725329
Report Number(s):
mp-1078389
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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