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Title: Materials Data on LaMoN3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316814· OSTI ID:1316814

LaMoN3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.47 Å) and four longer (2.87 Å) La–N bond lengths. Mo6+ is bonded to five N3- atoms to form distorted corner-sharing MoN5 trigonal bipyramids. There is one shorter (1.78 Å) and four longer (2.02 Å) Mo–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent Mo6+ atoms to form a mixture of distorted edge and corner-sharing NLa2Mo2 tetrahedra. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one Mo6+ 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:
1316814
Report Number(s):
mp-989515
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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