Materials Data on Pd2S9N4 by Materials Project
Pd2N4S9 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of eighteen Pd2N4S9 clusters. there are two inequivalent Pd3+ sites. In the first Pd3+ site, Pd3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Pd–S bond distances ranging from 2.30–2.39 Å. In the second Pd3+ site, Pd3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Pd–S bond distances ranging from 2.31–2.39 Å. There are four inequivalent N3+ sites. In the first N3+ site, N3+ 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 N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.64 Å) N–S bond length. In the third N3+ site, N3+ 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 fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.58 Å) and one longer (1.64 Å) N–S bond length. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to two Pd3+ and one N3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to two Pd3+ and one N3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to one N3+ and one S2- atom. The S–S bond length is 2.03 Å. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one Pd3+ and one N3+ atom. In the fifth S2- site, S2- is bonded in a water-like geometry to one Pd3+ and one N3+ atom. In the sixth S2- site, S2- is bonded in a distorted single-bond geometry to one N3+ and one S2- atom. The S–S bond length is 2.03 Å. In the seventh S2- site, S2- is bonded in a distorted water-like geometry to one Pd3+ and one S2- atom. In the eighth S2- site, S2- is bonded in a bent 120 degrees geometry to two N3+ atoms. In the ninth S2- site, S2- is bonded in a distorted water-like geometry to one Pd3+ and 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:
- 1280778
- Report Number(s):
- mp-647822
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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