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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La(NiGe)2 by Materials Project

LaNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All La–Ni bond lengths are 3.25 Å. All La–Ge bond lengths are 3.26 Å. Ni is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.39 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNiGe2 by Materials Project

LaNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All La–Ni bond lengths are 3.28 Å. There are a spread of La–Ge bond distances ranging from 3.21–3.37 Å. Ni is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.36–2.45 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent La, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaNi9Ge4 by Materials Project

LaNi9Ge4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to sixteen Ni and eight equivalent Ge atoms. There are eight shorter (3.25 Å) and eight longer (3.42 Å) La–Ni bond lengths. All La–Ge bond lengths are 3.33 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent La, six Ni, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing NiLa2Ni6Ge4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.43–2.58 Å. There are two shorter (2.53 Å) and two longer (2.59 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent La, three Ni, and four equivalent Ge atoms. The Ni–Ni bond length is 2.58 Å. There are a spread of Ni–Ge bond distances ranging from 2.38–2.52 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing NiNi8Ge4 cuboctahedra. All Ni–Ge bond lengths are 2.41 Å. Ge is bonded in a 12-coordinate geometry to two equivalent La and nine Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5NiGe3 by Materials Project

La5NiGe3 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 Ni and five equivalent Ge atoms. Both La–Ni bond lengths are 2.88 Å. There are a spread of La–Ge bond distances ranging from 3.17–3.77 Å. In the second La site, La is bonded to six equivalent Ge atoms to form a mixture of distorted edge, corner, and face-sharing LaGe6 octahedra. The corner-sharing octahedral tilt angles are 33°. All La–Ge bond lengths are 3.30 Å. Ni is bonded to six equivalent La atoms to form face-sharing NiLa6 octahedra. Ge is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗