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DOE OSTI2020

Materials Data on LuVO4 by Materials Project

LuVO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.25 Å) and four longer (2.42 Å) Lu–O bond lengths. V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuVO4 by Materials Project

LuVO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.30 Å) and four longer (2.35 Å) Lu–O bond lengths. V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.76 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2V2O7 by Materials Project

Lu2V2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.19 Å. V4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.15 Å) and two longer (2.17 Å) V–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent V4+ atoms to form a mixture of corner and edge-sharing OLu2V2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent V4+ atoms to form a mixture of corner and edge-sharing OV4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuVO2 by Materials Project

LuVO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Lu is bonded to six equivalent O atoms to form edge-sharing LuO6 octahedra. There are four shorter (2.27 Å) and two longer (2.28 Å) Lu–O bond lengths. V is bonded in a square co-planar geometry to four equivalent O atoms. All V–O bond lengths are 2.20 Å. O is bonded to three equivalent Lu and two equivalent V atoms to form a mixture of distorted corner and edge-sharing OLu3V2 trigonal bipyramids.

36 MATERIALS SCIENCE↗