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ErH2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Er–H bond lengths are 2.22 Å. H is bonded to four equivalent Er atoms to form a mixture of edge and corner-sharing HEr4 tetrahedra.
H(Er) is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded to six equivalent H atoms to form a mixture of edge and corner-sharing ErH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–H bond lengths are 2.44 Å. H is bonded to six equivalent Er atoms to form a mixture of edge and corner-sharing HEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.
H(Er) is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent H atoms. All Er–H bond lengths are 2.48 Å. H is bonded to six equivalent Er atoms to form a mixture of corner, edge, and face-sharing HEr6 octahedra. The corner-sharing octahedral tilt angles are 50°.
ErH2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 8-coordinate geometry to eight equivalent H atoms. There are two shorter (2.17 Å) and six longer (2.27 Å) Er–H bond lengths. H is bonded to four equivalent Er atoms to form a mixture of edge, face, and corner-sharing HEr4 tetrahedra.
ErH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Er3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Er–H bond distances ranging from 2.11–2.47 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Er3+ atoms. In the second H1- site, H1- is bonded to four equivalent Er3+ atoms to form a mixture of distorted corner, edge, and face-sharing HEr4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Er3+ atoms.