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DOE OSTI2020

Materials Data on ErNbO4 by Materials Project

ErNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.31–2.40 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Nb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNbO4 by Materials Project

ErNbO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.36 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 octahedra. There are a spread of Nb–O bond distances ranging from 1.91–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+ and two equivalent Nb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNbO2 by Materials Project

ErNbO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Er is bonded to six equivalent O atoms to form edge-sharing ErO6 octahedra. There are two shorter (2.29 Å) and four longer (2.31 Å) Er–O bond lengths. Nb is bonded in a square co-planar geometry to four equivalent O atoms. All Nb–O bond lengths are 2.21 Å. O is bonded to three equivalent Er and two equivalent Nb atoms to form a mixture of distorted edge and corner-sharing OEr3Nb2 trigonal bipyramids.

36 MATERIALS SCIENCE↗