Materials Data on VOF3 by Materials Project

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

DOI:https://doi.org/10.17188/1294669· OSTI ID:1294669

The Materials Project

VOF3 crystallizes in the tetragonal P-42_1m space group. The structure is one-dimensional and consists of two VOF3 ribbons oriented in the (0, 0, 1) direction. V5+ is bonded in a 6-coordinate geometry to two equivalent O2- and four F1- atoms. There are one shorter (1.62 Å) and one longer (2.41 Å) V–O bond lengths. There is two shorter (1.75 Å) and two longer (1.99 Å) V–F bond length. O2- is bonded in a distorted single-bond geometry to two equivalent V5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V5+ 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: 1294669
• Report Number(s): mp-764274
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
VOF3
F-O-V