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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm9(FeGe)10 by Materials Project

Tm9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to twelve Fe and two equivalent Ge atoms. There are four shorter (2.98 Å) and eight longer (3.19 Å) Tm–Fe bond lengths. Both Tm–Ge bond lengths are 2.91 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Fe and six Ge atoms. All Tm–Fe bond lengths are 3.13 Å. There are a spread of Tm–Ge bond distances ranging from 2.87–3.21 Å. In the third Tm site, Tm is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.94 Å) and four longer (3.10 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.81–3.05 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.08 Å) and two longer (3.25 Å) Tm–Fe bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.91–3.06 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Tm, five Fe, and two equivalent Ge atoms. There are four shorter (2.46 Å) and one longer (2.60 Å) Fe–Fe bond lengths. Both Fe–Ge bond lengths are 2.62 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to five Tm, three Fe, and four Ge atoms. There are one shorter (2.60 Å) and one longer (2.76 Å) Fe–Fe bond lengths. There are a spread of Fe–Ge bond distances ranging from 2.46–2.55 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Tm and two equivalent Ge atoms. There are one shorter (2.66 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four Tm and six Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Tm and four equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Tm and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm(FeGe)2 by Materials Project

Tm(FeGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent Ge atoms. All Tm–Fe bond lengths are 3.22 Å. All Tm–Ge bond lengths are 3.07 Å. Fe is bonded to four equivalent Tm and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing FeTm4Ge4 tetrahedra. All Fe–Ge bond lengths are 2.35 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tm, four equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmFeGe2 by Materials Project

TmFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to four equivalent Fe and ten Ge atoms. All Tm–Fe bond lengths are 3.13 Å. There are a spread of Tm–Ge bond distances ranging from 3.08–3.28 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Tm and five Ge atoms. There are one shorter (2.25 Å) and four longer (2.38 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Tm, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tm and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(FeGe)4 by Materials Project

Tm3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six Ge atoms to form distorted edge-sharing TmGe6 octahedra. There are four shorter (2.91 Å) and two longer (2.97 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.91 Å) and four longer (3.06 Å) Tm–Fe bond lengths. There are two shorter (2.89 Å) and four longer (2.99 Å) Tm–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Tm, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.46 Å. There are a spread of Fe–Ge bond distances ranging from 2.48–2.55 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Tm and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.67 Å.

36 MATERIALS SCIENCE↗