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Title: Materials Data on NbSNCl6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277626· OSTI ID:1277626

NbCl5NSCl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four niobium(v) chloride molecules and four NSCl clusters. In each NSCl cluster, N3+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.46 Å. S2- is bonded in a distorted bent 120 degrees geometry to one N3+ and one Cl1- atom. The S–Cl bond length is 2.14 Å. Cl1- is bonded in a single-bond geometry to one S2- 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:
1277626
Report Number(s):
mp-608398
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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