Materials Data on VF5 by Materials Project

Dataset · Mon Jul 20 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1319102· OSTI ID:1319102

VF5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one VF5 ribbon oriented in the (0, 0, 1) direction. V5+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are a spread of V–F bond distances ranging from 1.77–1.95 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. The F–V bond length is 1.78 Å. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. The F–V bond length is 1.77 Å. In the seventh F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. The F–V bond length is 1.77 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. The F–V bond length is 1.77 Å.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1319102
• Report Number(s): mvc-14312
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
F-V
VF5
crystal structure