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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ho5Ga3 by Materials Project

Ho5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to five equivalent Ga atoms. There are a spread of Ho–Ga bond distances ranging from 3.02–3.54 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Ga atoms. All Ho–Ga bond lengths are 3.07 Å. Ga is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Ga3 by Materials Project

Ho5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing HoGa5 square pyramids. There are four shorter (3.02 Å) and one longer (3.29 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing HoGa5 trigonal bipyramids. There are a spread of Ho–Ga bond distances ranging from 3.03–3.20 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight Ho and one Ga atom. The Ga–Ga bond length is 2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗