Materials Data on P2SN6 by Materials Project
(N2)2P2N2S crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight nitrogen molecules and four P2N2S clusters. In each P2N2S cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a linear geometry to two N+1.33- atoms. There is one shorter (1.51 Å) and one longer (1.57 Å) P–N bond length. In the second P5+ site, P5+ is bonded in a bent 120 degrees geometry to one N+1.33- and one S2- atom. The P–N bond length is 1.68 Å. The P–S bond length is 1.92 Å. There are two inequivalent N+1.33- sites. In the first N+1.33- site, N+1.33- is bonded in a single-bond geometry to one P5+ atom. In the second N+1.33- site, N+1.33- is bonded in a bent 150 degrees geometry to two P5+ atoms. S2- is bonded in a distorted single-bond geometry to one P5+ 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:
- 1672369
- Report Number(s):
- mp-1210609
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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