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Title: Materials Data on CS5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1741295· OSTI ID:1741295

CS5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four methane molecules, four octasulfur molecules, and four CS2 clusters. In each CS2 cluster, C4+ is bonded in a linear geometry to two S+0.80- atoms. Both C–S bond lengths are 1.56 Å. There are two inequivalent S+0.80- sites. In the first S+0.80- site, S+0.80- is bonded in a single-bond geometry to one C4+ atom. In the second S+0.80- site, S+0.80- is bonded in a single-bond geometry to one C4+ 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:
1741295
Report Number(s):
mp-1215005
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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