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Materials Data on LaFeGe3 by Materials Project

LaFeGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Fe and twelve Ge atoms. There are one shorter (3.35 Å) and four longer (3.50 Å) La–Fe bond lengths. There are a spread of La–Ge bond distances ranging from 3.15–3.37 Å. Fe is bonded in a 5-coordinate geometry to five equivalent La and five Ge atoms. There are one shorter (2.28 Å) and four longer (2.36 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent La, two equivalent Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.84 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent La, one Fe, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗

Materials Data on La(FeGe)2 by Materials Project

LaFe2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All La–Fe bond lengths are 3.40 Å. All La–Ge bond lengths are 3.20 Å. Fe is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing FeLa4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.45 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.73 Å.

36 MATERIALS SCIENCE↗

Materials Data on La5FeGe3 by Materials Project

La5FeGe3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to two equivalent Fe and five equivalent Ge atoms. Both La–Fe bond lengths are 2.87 Å. There are a spread of La–Ge bond distances ranging from 3.18–3.76 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All La–Ge bond lengths are 3.31 Å. Fe is bonded to six equivalent La atoms to form face-sharing FeLa6 octahedra. Ge is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaFeGe by Materials Project

LaFeGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded to six equivalent Fe and six equivalent Ge atoms to form a mixture of edge and face-sharing LaFe6Ge6 cuboctahedra. All La–Fe bond lengths are 3.25 Å. All La–Ge bond lengths are 3.25 Å. Fe is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Ge atoms. All Fe–Ge bond lengths are 2.44 Å. Ge is bonded in a 3-coordinate geometry to six equivalent La and three equivalent Fe atoms.

36 MATERIALS SCIENCE↗