Materials Data on Se5SO3F by Materials Project

Dataset · Fri May 29 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1280955· OSTI ID:1280955

The Materials Project

(Se)5SO3F crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of forty selenium molecules and eight SO3F clusters. In each SO3F cluster, S2- is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. F1- is bonded in a single-bond geometry to 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: 1280955
• Report Number(s): mp-650178
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Se5SO3F
F-O-S-Se