Materials Data on PtS4N3Cl by Materials Project
PtN3S4Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four PtN3S4Cl clusters. Pt2+ is bonded in a distorted square co-planar geometry to one N+2.33+, two equivalent S2-, and one Cl1- atom. The Pt–N bond length is 1.99 Å. Both Pt–S bond lengths are 2.26 Å. The Pt–Cl bond length is 2.33 Å. There are two inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.63 Å) N–S bond length. In the second N+2.33+ site, N+2.33+ is bonded in a distorted trigonal planar geometry to one Pt2+ and two equivalent S2- atoms. Both N–S bond lengths are 1.69 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Pt2+ and one N+2.33+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two N+2.33+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Pt2+ 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:
- 1269663
- Report Number(s):
- mp-557029
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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