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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on V5As3 by Materials Project

V5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.66 Å. In the second V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.55–2.68 Å. In the third V site, V is bonded to five As atoms to form distorted edge-sharing VAs5 square pyramids. There are a spread of V–As bond distances ranging from 2.52–2.54 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.76 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight V atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V5As3 by Materials Project

V5As3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.51–2.80 Å. In the second V site, V is bonded in a 4-coordinate geometry to four equivalent As atoms. All V–As bond lengths are 2.52 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the second As site, As is bonded in a 10-coordinate geometry to eight equivalent V and two equivalent As atoms. Both As–As bond lengths are 2.47 Å.

36 MATERIALS SCIENCE↗