Materials Data on S4(BrN)3 by Materials Project
N3S4Br(Br)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four N3S4Br clusters. In each N3S4Br cluster, there are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.57 Å) N–S bond length. In the second N+0.33- site, N+0.33- is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.57 Å) N–S bond length. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 150 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.59 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one N+0.33- and one Br3+ atom. The S–Br bond length is 3.08 Å. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one N+0.33- and one Br3+ atom. The S–Br bond length is 3.08 Å. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two N+0.33- atoms. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to two N+0.33- atoms. Br3+ is bonded in a 1-coordinate geometry to two S2- 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:
- 1201597
- Report Number(s):
- mp-27378
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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