Materials Data on As4S5 by Materials Project
As4S5 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two As4S5 clusters. there are three inequivalent As+2.50+ sites. In the first As+2.50+ site, As+2.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.29 Å. In the second As+2.50+ site, As+2.50+ is bonded in a water-like geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.28 Å. In the third As+2.50+ site, As+2.50+ is bonded in a water-like geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent As+2.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As+2.50+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As+2.50+ 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:
- 1208574
- Report Number(s):
- mp-502
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on As5Pb3S10 by Materials Project
Materials Data on As5Pb3S10 by Materials Project