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Materials Data on Ho3Mn3Ga2Ge by Materials Project

Ho3Mn3GeGa2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 5-coordinate geometry to six Mn, four equivalent Ga, and one Ge atom. All Ho–Mn bond lengths are 3.24 Å. All Ho–Ga bond lengths are 2.94 Å. The Ho–Ge bond length is 2.92 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to six Mn, four equivalent Ga, and one Ge atom. There are four shorter (3.23 Å) and two longer (3.24 Å) Ho–Mn bond lengths. All Ho–Ga bond lengths are 2.94 Å. The Ho–Ge bond length is 2.92 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Ho, two equivalent Mn, two equivalent Ga, and two equivalent Ge atoms. Both Mn–Mn bond lengths are 2.83 Å. Both Mn–Ga bond lengths are 2.80 Å. Both Mn–Ge bond lengths are 2.59 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Ho, two Mn, two equivalent Ga, and two equivalent Ge atoms. The Mn–Mn bond length is 2.83 Å. Both Mn–Ga bond lengths are 2.80 Å. Both Mn–Ge bond lengths are 2.59 Å. Ga is bonded in a 9-coordinate geometry to six Ho and three Mn atoms. Ge is bonded in a 9-coordinate geometry to three Ho and six Mn atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ho3Mn3Ga2Ge by Materials Project

Ho3Mn3GeGa2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to six equivalent Mn, three Ga, and two equivalent Ge atoms. There are a spread of Ho–Mn bond distances ranging from 3.19–3.30 Å. All Ho–Ga bond lengths are 2.94 Å. Both Ho–Ge bond lengths are 2.93 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Ho, two equivalent Mn, three Ga, and one Ge atom. Both Mn–Mn bond lengths are 2.79 Å. There are two shorter (2.61 Å) and one longer (2.77 Å) Mn–Ga bond lengths. The Mn–Ge bond length is 2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Mn atoms. In the second Ga site, Ga is bonded in a distorted q6 geometry to three equivalent Ho and six equivalent Mn atoms. Ge is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Mn atoms.

36 MATERIALS SCIENCE↗