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Title: Materials Data on LaOsN3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316914· OSTI ID:1316914

LaOsN3 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight N3- atoms. There are four shorter (2.70 Å) and four longer (2.71 Å) La–N bond lengths. Os6+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.94 Å) and two longer (1.98 Å) Os–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to two equivalent La3+, one Os6+, and one N3- atom. The N–N bond length is 1.27 Å. In the second N3- site, N3- is bonded to four equivalent La3+ and two equivalent Os6+ atoms to form a mixture of distorted edge, face, and corner-sharing NLa4Os2 octahedra. The corner-sharing octahedral tilt angles are 62°.

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:
1316914
Report Number(s):
mp-989621
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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