Materials Data on CS14 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1201989· OSTI ID:1201989

The Materials Project

CS2(S)12 is Tetraauricupride structured and crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of three CS2 clusters and three S clusters. In each CS2 cluster, C4+ is bonded in a linear geometry to two equivalent S+0.29- atoms. Both C–S bond lengths are 1.56 Å. S+0.29- is bonded in a single-bond geometry to one C4+ atom. In each S cluster, there are two inequivalent S+0.29- sites. In the first S+0.29- site, S+0.29- is bonded in a water-like geometry to two equivalent S+0.29- atoms. Both S–S bond lengths are 2.07 Å. In the second S+0.29- site, S+0.29- is bonded in a water-like geometry to two equivalent S+0.29- 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: 1201989
• Report Number(s): mp-27814
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CS14
C-S