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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er(Fe2Ge)2 by Materials Project

ErFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.39 Å. There are two shorter (2.93 Å) and four longer (2.97 Å) Er–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Er, four Fe, and three equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. All Fe–Ge bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Er, four Fe, and four equivalent Ge atoms. The Fe–Fe bond length is 2.66 Å. There are a spread of Fe–Ge bond distances ranging from 2.46–2.66 Å. Ge is bonded in a 10-coordinate geometry to three equivalent Er and seven Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(Fe2Ge)2 by Materials Project

ErFe4Ge2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve equivalent Fe and six equivalent Ge atoms. There are four shorter (3.12 Å) and eight longer (3.28 Å) Er–Fe bond lengths. There are two shorter (2.90 Å) and four longer (2.92 Å) Er–Ge bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent Er and three equivalent Ge atoms. There are one shorter (2.43 Å) and two longer (2.44 Å) Fe–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er9(FeGe)10 by Materials Project

Er9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.09 Å) and two longer (3.25 Å) Er–Fe bond lengths. There are a spread of Er–Ge bond distances ranging from 2.92–3.08 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.95 Å) and four longer (3.13 Å) Er–Fe bond lengths. There are a spread of Er–Ge bond distances ranging from 2.82–3.09 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to four equivalent Fe and six Ge atoms. All Er–Fe bond lengths are 3.15 Å. There are a spread of Er–Ge bond distances ranging from 2.89–3.21 Å. In the fourth Er site, Er 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 (3.20 Å) Er–Fe bond lengths. Both Er–Ge bond lengths are 2.93 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to five Er, three Fe, and four Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.73 Å. There are a spread of Fe–Ge bond distances ranging from 2.47–2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Er, five Fe, and two equivalent Ge atoms. The Fe–Fe bond length is 2.61 Å. Both Fe–Ge bond lengths are 2.64 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Er and two equivalent Ge atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Er and four equivalent Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Er and four equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to four Er and six Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(FeGe)4 by Materials Project

Er3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six Ge atoms to form distorted edge-sharing ErGe6 octahedra. There are four shorter (2.92 Å) and two longer (2.98 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.92 Å) and four longer (3.06 Å) Er–Fe bond lengths. There are two shorter (2.91 Å) and four longer (3.02 Å) Er–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Er, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.43 Å. There are three shorter (2.50 Å) and one longer (2.57 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErFeGe2 by Materials Project

ErFeGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to four equivalent Fe and ten Ge atoms. All Er–Fe bond lengths are 3.18 Å. There are a spread of Er–Ge bond distances ranging from 3.11–3.29 Å. Fe is bonded in a 5-coordinate geometry to four equivalent Er and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.26–2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Er, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗