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Title: Materials Data on NaSnN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1188792· OSTI ID:1188792

NaSnN is trigonal omega-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two NaSnN sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent N3- atoms. All Na–N bond lengths are 2.52 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. All Sn–N bond lengths are 2.23 Å. N3- is bonded to three equivalent Na1+ and three equivalent Sn2+ atoms to form edge-sharing NNa3Sn3 octahedra.

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:
1188792
Report Number(s):
mp-12433
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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