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DOE OSTI · 1642547

Materials Data on HoGa3 by Materials Project

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Abstract

HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form a mixture of corner and face-sharing HoGa12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.10 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to twelve Ga atoms to form a mixture of corner and face-sharing HoGa12 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.08 Å) Ho–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Ho and six Ga atoms. There are two shorter (2.73 Å) and four longer (2.92 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Ho and eight Ga atoms. All Ga–Ga bond lengths are 3.08 Å.

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36 MATERIALS SCIENCEcrystal structureGa-HoHoGa3

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2020-05-02. Materials Data on HoGa3 by Materials Project. https://doi.org/10.17188/1642547

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