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DOE OSTI · 1307854

Materials Data on V3S by Materials Project

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Abstract

V3S crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a distorted water-like geometry to two equivalent S atoms. Both V–S bond lengths are 2.33 Å. In the second V site, V is bonded in a distorted water-like geometry to two equivalent S atoms. Both V–S bond lengths are 2.38 Å. In the third V site, V is bonded to four equivalent S atoms to form a mixture of distorted edge and corner-sharing VS4 tetrahedra. There are two shorter (2.37 Å) and two longer (2.41 Å) V–S bond lengths. S is bonded in a 8-coordinate geometry to eight V atoms.

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36 MATERIALS SCIENCEcrystal structureS-VV3S

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2020-07-17. Materials Data on V3S by Materials Project. https://doi.org/10.17188/1307854

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