Materials Data on YV2O4 by Materials Project
YV2O4 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to four O2- atoms to form YO4 tetrahedra that share corners with twelve VO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are three shorter (2.14 Å) and one longer (2.20 Å) Y–O bond lengths. There are two inequivalent V+2.50+ sites. In the first V+2.50+ site, V+2.50+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six VO6 octahedra. There are four shorter (2.12 Å) and two longer (2.13 Å) V–O bond lengths. In the second V+2.50+ site, V+2.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six equivalent VO6 octahedra. All V–O bond lengths are 2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three V+2.50+ atoms to form a mixture of distorted edge and corner-sharing OYV3 tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent V+2.50+ atoms to form a mixture of distorted edge and corner-sharing OYV3 trigonal pyramids.