Materials Data on WSNCl5 by Materials Project
WNSCl5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two WNSCl5 clusters. W6+ is bonded to one N1+ and five Cl1- atoms to form distorted edge-sharing WNCl5 octahedra. The W–N bond length is 1.79 Å. There are a spread of W–Cl bond distances ranging from 2.30–2.70 Å. N1+ is bonded in a distorted linear geometry to one W6+ and one S2- atom. The N–S bond length is 1.57 Å. S2- is bonded in a water-like geometry to one N1+ and one Cl1- atom. The S–Cl bond length is 2.06 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent W6+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ 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:
- 1270465
- Report Number(s):
- mp-558716
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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