Materials Data on PS by Materials Project
PS1 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four tetraphosphorous tetrasulfide molecules. there are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a distorted L-shaped geometry to one P2- and two S2+ atoms. The P–P bond length is 2.39 Å. Both P–S bond lengths are 2.12 Å. In the second P2- site, P2- is bonded in a distorted L-shaped geometry to one P2- and two S2+ atoms. Both P–S bond lengths are 2.12 Å. There are three inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a water-like geometry to two equivalent P2- atoms. In the second S2+ site, S2+ is bonded in a water-like geometry to two equivalent P2- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry to two P2- 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:
- 1277716
- Report Number(s):
- mp-612
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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