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Materials Data on FeNiGe by Materials Project

FeNiGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded in a 5-coordinate geometry to six equivalent Ni and five equivalent Ge atoms. All Fe–Ni bond lengths are 2.66 Å. There are three shorter (2.35 Å) and two longer (2.49 Å) Fe–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to six equivalent Fe, two equivalent Ni, and six equivalent Ge atoms. Both Ni–Ni bond lengths are 2.49 Å. All Ni–Ge bond lengths are 2.66 Å. Ge is bonded in a 5-coordinate geometry to five equivalent Fe and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on FeNiGe by Materials Project

FeNiGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded in a 12-coordinate geometry to two equivalent Fe, six equivalent Ni, and six equivalent Ge atoms. Both Fe–Fe bond lengths are 2.54 Å. All Fe–Ni bond lengths are 2.67 Å. All Fe–Ge bond lengths are 2.67 Å. Ni is bonded in a 11-coordinate geometry to six equivalent Fe and five equivalent Ge atoms. There are three shorter (2.35 Å) and two longer (2.54 Å) Ni–Ge bond lengths. Ge is bonded in a 11-coordinate geometry to six equivalent Fe and five equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on FeNi2Ge by Materials Project

Ni2FeGe is alpha La-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to eight equivalent Ni and four equivalent Ge atoms to form FeNi8Ge4 cuboctahedra that share corners with twelve equivalent FeNi8Ge4 cuboctahedra, edges with eight equivalent GeFe4Ni8 cuboctahedra, edges with sixteen equivalent NiFe4Ni4Ge4 cuboctahedra, faces with four equivalent GeFe4Ni8 cuboctahedra, faces with six equivalent FeNi8Ge4 cuboctahedra, and faces with eight equivalent NiFe4Ni4Ge4 cuboctahedra. All Fe–Ni bond lengths are 2.54 Å. All Fe–Ge bond lengths are 2.49 Å. Ni is bonded to four equivalent Fe, four equivalent Ni, and four equivalent Ge atoms to form NiFe4Ni4Ge4 cuboctahedra that share corners with twelve equivalent NiFe4Ni4Ge4 cuboctahedra, edges with eight equivalent FeNi8Ge4 cuboctahedra, edges with eight equivalent NiFe4Ni4Ge4 cuboctahedra, edges with eight equivalent GeFe4Ni8 cuboctahedra, faces with four equivalent FeNi8Ge4 cuboctahedra, faces with four equivalent GeFe4Ni8 cuboctahedra, and faces with ten equivalent NiFe4Ni4Ge4 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. All Ni–Ge bond lengths are 2.54 Å. Ge is bonded to four equivalent Fe and eight equivalent Ni atoms to form GeFe4Ni8 cuboctahedra that share corners with twelve equivalent GeFe4Ni8 cuboctahedra, edges with eight equivalent FeNi8Ge4 cuboctahedra, edges with sixteen equivalent NiFe4Ni4Ge4 cuboctahedra, faces with four equivalent FeNi8Ge4 cuboctahedra, faces with six equivalent GeFe4Ni8 cuboctahedra, and faces with eight equivalent NiFe4Ni4Ge4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Fe3Ni3Ge2 by Materials Project

Fe3Ni3Ge2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to seven Ni and four Ge atoms. There are four shorter (2.47 Å) and three longer (2.86 Å) Fe–Ni bond lengths. All Fe–Ge bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to seven Ni and four Ge atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.86 Å. There are one shorter (2.47 Å) and three longer (2.48 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a body-centered cubic geometry to four Ni and four Ge atoms. There are three shorter (2.48 Å) and one longer (2.51 Å) Fe–Ni bond lengths. There are one shorter (2.47 Å) and three longer (2.49 Å) Fe–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to six Fe, four Ni, and four Ge atoms. There are one shorter (2.46 Å) and three longer (2.48 Å) Ni–Ni bond lengths. There are three shorter (2.48 Å) and one longer (2.49 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to seven Fe, one Ni, and six Ge atoms. There are three shorter (2.86 Å) and three longer (2.87 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 8-coordinate geometry to five Fe, three equivalent Ni, and six Ge atoms. There are three shorter (2.85 Å) and three longer (2.87 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to five Fe and nine Ni atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to seven Fe and seven Ni atoms.

36 MATERIALS SCIENCE↗