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Title: Materials Data on SN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1266655· OSTI ID:1266655

NS is red selenium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules. there are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. Both N–S bond lengths are 1.63 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. Both N–S bond lengths are 1.63 Å. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. Both N–S bond lengths are 1.63 Å. In the fourth N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. Both N–S bond lengths are 1.63 Å. There are four inequivalent S1- sites. In the first S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the second S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the third S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the fourth S1- site, S1- is bonded in a water-like geometry to two N1+ 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:
1266655
Report Number(s):
mp-542738
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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