Materials Data on As(IF3)2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1281050· OSTI ID:1281050

The Materials Project

F(AsF3)(IF1)2 is Cubane-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight iodine monofluoride molecules and four F(AsF3) clusters. In each F(AsF3) cluster, As2+ is bonded in a trigonal pyramidal geometry to four F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ 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: 1281050
• Report Number(s): mp-651217
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
As(IF3)2
As-F-I