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Materials Data on CrH2 by Materials Project

H2Cr is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Cr–H bond lengths are 1.78 Å. H1- is bonded to four equivalent Cr2+ atoms to form a mixture of corner and edge-sharing HCr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on CrH by Materials Project

CrH is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing CrH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–H bond lengths are 1.89 Å. H is bonded to six equivalent Cr atoms to form a mixture of corner and edge-sharing HCr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on CrH by Materials Project

CrH is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr is bonded to four equivalent H atoms to form corner-sharing CrH4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.69 Å) Cr–H bond length. H is bonded to four equivalent Cr atoms to form corner-sharing HCr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on CrH by Materials Project

CrH is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded to six equivalent H atoms to form a mixture of corner, edge, and face-sharing CrH6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cr–H bond lengths are 1.94 Å. H is bonded to six equivalent Cr atoms to form a mixture of distorted corner and edge-sharing HCr6 pentagonal pyramids.

36 MATERIALS SCIENCE↗